4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one

C12H20N4O — CID 136689846

IUPAC4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H20N4O/c13-6-2-1-3-7-14-10-8-11(17)16-12(15-10)9-4-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyZEMNHVFLIOPMBB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds7

About 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one

4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136689846) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136689846
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H20N4O/c13-6-2-1-3-7-14-10-8-11(17)16-12(15-10)9-4-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyZEMNHVFLIOPMBB-UHFFFAOYSA-N
XLogP1.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
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

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136689846) is 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one is NCCCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is ZEMNHVFLIOPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-6-2-1-3-7-14-10-8-11(17)16-12(15-10)9-4-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136689846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).