3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine

C49H69ClFN11 — CID 159464506

IUPAC3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccccn1.CC(C)c1ccnc(N)n1.CC(C)c1ccnc(NC2CC2)n1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccc1N
InChIInChI=1S/C10H15N3.C8H10ClN.C8H10FN.C8H12N2.C8H11N.C7H11N3/c1-7(2)9-5-6-11-10(13-9)12-8-3-4-8;3*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-9-7(8)10-6/h5-8H,3-4H2,1-2H3,(H,11,12,13);2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyLUZVJTNPPQXYEK-UHFFFAOYSA-N
MW866.62 g/mol
LogP12.55
Rot. Bonds8

About 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine

3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine (PubChem CID 159464506) has the molecular formula C49H69ClFN11 and a molecular weight of 866.62 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine
PubChem CID159464506
Molecular FormulaC49H69ClFN11
Molecular Weight866.62 g/mol
Exact Mass865.54
IUPAC Name3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccccn1.CC(C)c1ccnc(N)n1.CC(C)c1ccnc(NC2CC2)n1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccc1N
InChIInChI=1S/C10H15N3.C8H10ClN.C8H10FN.C8H12N2.C8H11N.C7H11N3/c1-7(2)9-5-6-11-10(13-9)12-8-3-4-8;3*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-9-7(8)10-6/h5-8H,3-4H2,1-2H3,(H,11,12,13);2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyLUZVJTNPPQXYEK-UHFFFAOYSA-N
XLogP12.55
TPSA167.19 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500866.62
LogP ≤ 512.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine (CID 159464506) is 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine is CC(C)c1ccccn1.CC(C)c1ccnc(N)n1.CC(C)c1ccnc(NC2CC2)n1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccc1N.
What is the InChIKey of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?
The InChIKey is LUZVJTNPPQXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C8H10ClN.C8H10FN.C8H12N2.C8H11N.C7H11N3/c1-7(2)9-5-6-11-10(13-9)12-8-3-4-8;3*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-9-7(8)10-6/h5-8H,3-4H2,1-2H3,(H,11,12,13);2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?
3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine has a molecular weight of 866.62 g/mol, XLogP of 12.55, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 159464506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).