6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C14H16ClN3 — CID 63549748

IUPAC6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H16ClN3/c1-9(2)11-4-6-12(7-5-11)18-14-8-13(15)16-10(3)17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyFPOZDWUIIAYBCH-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 63549748) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID63549748
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H16ClN3/c1-9(2)11-4-6-12(7-5-11)18-14-8-13(15)16-10(3)17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyFPOZDWUIIAYBCH-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877709
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
ethyl 4-[[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877726
2-methyl-6-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112869239
2-[[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194903
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
N-(6-bromonaphthalen-2-yl)-6-chloro-2-methylpyrimidin-4-amine
CID 81259369
1-[4-[2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367873
1-[4-[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871239

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 63549748) is 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is FPOZDWUIIAYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(2)11-4-6-12(7-5-11)18-14-8-13(15)16-10(3)17-14/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63549748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).