6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

C13H21ClN4 — CID 145055889

IUPAC6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1cc(Cl)nc(NCC2CCC(C)CC2)n1
InChIInChI=1S/C13H21ClN4/c1-9-3-5-10(6-4-9)8-16-13-17-11(14)7-12(15-2)18-13/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyYBMCLRRYMYYPQS-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.41
Rot. Bonds4

About 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (PubChem CID 145055889) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
PubChem CID145055889
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1cc(Cl)nc(NCC2CCC(C)CC2)n1
InChIInChI=1S/C13H21ClN4/c1-9-3-5-10(6-4-9)8-16-13-17-11(14)7-12(15-2)18-13/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyYBMCLRRYMYYPQS-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
3,5-dichloro-2-N-methyl-6-N-[(4-methylcyclohexyl)methyl]pyridine-2,6-diamine
CID 102758204
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine
CID 94674680
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
CID 58495643
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (CID 145055889) is 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is CNc1cc(Cl)nc(NCC2CCC(C)CC2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YBMCLRRYMYYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-3-5-10(6-4-9)8-16-13-17-11(14)7-12(15-2)18-13/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 145055889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).