4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine

C13H23N3 — CID 138487090

IUPAC4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-7-16(8-2)12-14-10(3)9-11(15-12)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyVZJHVTIWDDRTKO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.93
Rot. Bonds3

About 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine

4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine (PubChem CID 138487090) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
PubChem CID138487090
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-7-16(8-2)12-14-10(3)9-11(15-12)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyVZJHVTIWDDRTKO-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-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

Related Compounds

CID 13672658
CID 13672658
CID 24994634
CID 24994634
CID 11694425
CID 11694425
CID 12450631
CID 12450631
CID 691237
CID 691237
CID 713744
CID 713744
CID 11622731
CID 11622731
CID 134155463
CID 134155463
CID 24797775
CID 24797775
CID 25128826
CID 25128826
CID 42624150
CID 42624150
CID 53378711
CID 53378711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine (CID 138487090) is 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine is CCN(CC)c1nc(C)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
The InChIKey is VZJHVTIWDDRTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-7-16(8-2)12-14-10(3)9-11(15-12)13(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 138487090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).