4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one

C11H17ClN4O — CID 136807852

IUPAC4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCCCC1N
InChIInChI=1S/C11H17ClN4O/c1-16(8-5-3-2-4-7(8)13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17)
InChIKeyZCMWLVQUOYPRJE-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.13
Rot. Bonds2

About 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one

4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136807852) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136807852
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCCCC1N
InChIInChI=1S/C11H17ClN4O/c1-16(8-5-3-2-4-7(8)13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17)
InChIKeyZCMWLVQUOYPRJE-UHFFFAOYSA-N
XLogP1.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114582984
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970
5-chloro-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780977
5-chloro-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780984
5-chloro-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780992
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136781011

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one (CID 136807852) is 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Cl)C1CCCCC1N.
What is the InChIKey of 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is ZCMWLVQUOYPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(8-5-3-2-4-7(8)13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one?
4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136807852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).