2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one

C10H14N4O — CID 57223390

IUPAC2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one
SMILESNC1CCCC(=Nc2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H14N4O/c11-7-2-1-3-8(6-7)13-10-12-5-4-9(15)14-10/h4-5,7H,1-3,6,11H2,(H,12,14,15)
InChIKeyUFTXPZLYMTYFHY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.74
Rot. Bonds1

About 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one

2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one (PubChem CID 57223390) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one
PubChem CID57223390
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one
SMILESNC1CCCC(=Nc2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H14N4O/c11-7-2-1-3-8(6-7)13-10-12-5-4-9(15)14-10/h4-5,7H,1-3,6,11H2,(H,12,14,15)
InChIKeyUFTXPZLYMTYFHY-UHFFFAOYSA-N
XLogP0.74
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 145268956
2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80621116
azane;copper;bis(6-oxo-1H-pyrimidin-2-olate)
CID 50932756
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
CID 65406952
2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one
CID 79573538
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
2-(azepan-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675429
(4R)-4-aminoazepan-2-one
CID 18648126
2-(azepan-4-yl)-1H-pyrimidin-6-one
CID 84664930
2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 84652111
2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901181
2-iodo-1H-pyrimidin-6-one
CID 67211625

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one (CID 57223390) is 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one is NC1CCCC(=Nc2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one?
The InChIKey is UFTXPZLYMTYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-7-2-1-3-8(6-7)13-10-12-5-4-9(15)14-10/h4-5,7H,1-3,6,11H2,(H,12,14,15).
What are the key properties of 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one?
2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one has a molecular weight of 206.25 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 57223390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).