5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine

C15H18ClN3 — CID 133349967

IUPAC5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
SMILESCC(Nc1ncc(Cl)cn1)C(C)(C)c1ccccc1
InChIInChI=1S/C15H18ClN3/c1-11(19-14-17-9-13(16)10-18-14)15(2,3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,18,19)
InChIKeyRWIQWWKQTXOCCC-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.91
Rot. Bonds4

About 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine

5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine (PubChem CID 133349967) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
PubChem CID133349967
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
SMILESCC(Nc1ncc(Cl)cn1)C(C)(C)c1ccccc1
InChIInChI=1S/C15H18ClN3/c1-11(19-14-17-9-13(16)10-18-14)15(2,3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,18,19)
InChIKeyRWIQWWKQTXOCCC-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-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

5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
CID 79557000
2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937690
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
trimethyl-(3-methyl-3-phenylbutan-2-yl)silane
CID 91220136
3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 133429787
5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
CID 115674175
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine (CID 133349967) is 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine is CC(Nc1ncc(Cl)cn1)C(C)(C)c1ccccc1.
What is the InChIKey of 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is RWIQWWKQTXOCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(19-14-17-9-13(16)10-18-14)15(2,3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,18,19).
What are the key properties of 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine?
5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 133349967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).