2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one

C11H18N4O — CID 136977841

IUPAC2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCNCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-5-6-13-9-7-10(16)15-11(14-9)8-3-4-8/h7-8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyHVSWHOZUQQGVBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds6

About 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136977841) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
PubChem CID136977841
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCNCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-5-6-13-9-7-10(16)15-11(14-9)8-3-4-8/h7-8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyHVSWHOZUQQGVBN-UHFFFAOYSA-N
XLogP0.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one (CID 136977841) is 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one is CCNCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is HVSWHOZUQQGVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-12-5-6-13-9-7-10(16)15-11(14-9)8-3-4-8/h7-8,12H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).