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

C9H18N6O — CID 135584213

IUPAC2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
SMILESCCCCC(N)Nc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C9H18N6O/c1-2-3-4-5(10)13-7-6(11)8(16)15-9(12)14-7/h5H,2-4,10-11H2,1H3,(H4,12,13,14,15,16)
InChIKeyBEQNLRKLTJEINX-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.18
Rot. Bonds5

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

2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one (PubChem CID 135584213) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
PubChem CID135584213
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
SMILESCCCCC(N)Nc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C9H18N6O/c1-2-3-4-5(10)13-7-6(11)8(16)15-9(12)14-7/h5H,2-4,10-11H2,1H3,(H4,12,13,14,15,16)
InChIKeyBEQNLRKLTJEINX-UHFFFAOYSA-N
XLogP-0.18
TPSA135.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-amino-6-nonyl-7,8-dihydro-3H-pteridin-4-one
CID 136504209
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
2-Amino-5,6,7,8-tetrahydro-cis-6,7-dimethyl-4(1H)-pteridinone
CID 135789971
5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
CID 135500494
2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
CID 135818385
5-amino-2-(butylamino)-1H-pyrimidin-6-one
CID 20276616
5-amino-2-(hexylamino)-1H-pyrimidin-6-one
CID 20276621
5-amino-2-(octylamino)-1H-pyrimidin-6-one
CID 20276646
5-amino-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 20276668
2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
CID 66758684

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one (CID 135584213) is 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one is CCCCC(N)Nc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one?
The InChIKey is BEQNLRKLTJEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-2-3-4-5(10)13-7-6(11)8(16)15-9(12)14-7/h5H,2-4,10-11H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.18, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135584213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).