4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

C15H19ClN4 — CID 112855366

IUPAC4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1c(Cl)cccc1Nc1cc(NCC(C)C)ncn1
InChIInChI=1S/C15H19ClN4/c1-10(2)8-17-14-7-15(19-9-18-14)20-13-6-4-5-12(16)11(13)3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyWIDCUTYEGHYZLO-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.25
Rot. Bonds5

About 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855366) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855366
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1c(Cl)cccc1Nc1cc(NCC(C)C)ncn1
InChIInChI=1S/C15H19ClN4/c1-10(2)8-17-14-7-15(19-9-18-14)20-13-6-4-5-12(16)11(13)3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyWIDCUTYEGHYZLO-UHFFFAOYSA-N
XLogP4.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864012
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865874
ethyl 2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112855434
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855366) is 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is Cc1c(Cl)cccc1Nc1cc(NCC(C)C)ncn1.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is WIDCUTYEGHYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-10(2)8-17-14-7-15(19-9-18-14)20-13-6-4-5-12(16)11(13)3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).