4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one

C10H16N4O — CID 83857322

IUPAC4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one
SMILESNc1cc(C2CCC(N)CC2)[nH]c(=O)n1
InChIInChI=1S/C10H16N4O/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(15)13-8/h5-7H,1-4,11H2,(H3,12,13,14,15)
InChIKeyHQJZXNCMRCNSCK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.34
Rot. Bonds1

About 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one

4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one (PubChem CID 83857322) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one
PubChem CID83857322
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one
SMILESNc1cc(C2CCC(N)CC2)[nH]c(=O)n1
InChIInChI=1S/C10H16N4O/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(15)13-8/h5-7H,1-4,11H2,(H3,12,13,14,15)
InChIKeyHQJZXNCMRCNSCK-UHFFFAOYSA-N
XLogP0.34
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one (CID 83857322) is 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one is Nc1cc(C2CCC(N)CC2)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one?
The InChIKey is HQJZXNCMRCNSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(15)13-8/h5-7H,1-4,11H2,(H3,12,13,14,15).
What are the key properties of 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one?
4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-aminocyclohexyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83857322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).