5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one

C9H17N5O — CID 136689854

IUPAC5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O/c10-4-2-1-3-5-12-8-7(11)9(15)14-6-13-8/h6H,1-5,10-11H2,(H2,12,13,14,15)
InChIKeyFGJZLQDAXYGMHD-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.11
Rot. Bonds6

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

5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one (PubChem CID 136689854) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
PubChem CID136689854
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O/c10-4-2-1-3-5-12-8-7(11)9(15)14-6-13-8/h6H,1-5,10-11H2,(H2,12,13,14,15)
InChIKeyFGJZLQDAXYGMHD-UHFFFAOYSA-N
XLogP-0.11
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975603
5-amino-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976588
5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
5-amino-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137270119
6-Amino-5-butylamino-4(3H)-pyrimidinone
CID 135577490
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135442228
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135786483

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one (CID 136689854) is 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one is NCCCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one?
The InChIKey is FGJZLQDAXYGMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-4-2-1-3-5-12-8-7(11)9(15)14-6-13-8/h6H,1-5,10-11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one?
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one has a molecular weight of 211.27 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136689854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).