6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine

C13H21ClN4 — CID 83113894

IUPAC6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H21ClN4/c1-10-11(14)16-9-17-12(10)15-8-13(18(2)3)6-4-5-7-13/h9H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyMKMGFNSQVXMGLQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.72
Rot. Bonds4

About 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine

6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine (PubChem CID 83113894) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
PubChem CID83113894
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H21ClN4/c1-10-11(14)16-9-17-12(10)15-8-13(18(2)3)6-4-5-7-13/h9H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyMKMGFNSQVXMGLQ-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde
CID 105419815
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
CID 83112048
N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115328541
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
1-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121903
4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde
CID 106194260
6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 80846461
3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
CID 102759502
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 105419063
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 105420900
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine (CID 83113894) is 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1(N(C)C)CCCC1.
What is the InChIKey of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
The InChIKey is MKMGFNSQVXMGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-11(14)16-9-17-12(10)15-8-13(18(2)3)6-4-5-7-13/h9H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 83113894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).