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

C11H19N5O — CID 136807856

IUPAC5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1N)C1CCCCC1N
InChIInChI=1S/C11H19N5O/c1-16(8-5-3-2-4-7(8)12)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17)
InChIKeyXPEQRRNQJTZOHX-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds2

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

5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136807856) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136807856
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1N)C1CCCCC1N
InChIInChI=1S/C11H19N5O/c1-16(8-5-3-2-4-7(8)12)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17)
InChIKeyXPEQRRNQJTZOHX-UHFFFAOYSA-N
XLogP0.06
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one (CID 136807856) is 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1N)C1CCCCC1N.
What is the InChIKey of 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is XPEQRRNQJTZOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(8-5-3-2-4-7(8)12)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17).
What are the key properties of 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136807856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).