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

C10H16N4O — CID 135402393

IUPAC2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c11-10-13-8(6-9(15)14-10)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14,15)
InChIKeyJQCXVMUVGHUTLI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.10
Rot. Bonds2

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

2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one (PubChem CID 135402393) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one
PubChem CID135402393
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c11-10-13-8(6-9(15)14-10)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14,15)
InChIKeyJQCXVMUVGHUTLI-UHFFFAOYSA-N
XLogP1.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one (CID 135402393) is 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one is Nc1nc(NC2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one?
The InChIKey is JQCXVMUVGHUTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10-13-8(6-9(15)14-10)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14,15).
What are the key properties of 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one?
2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135402393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).