5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one

C9H17N5O — CID 137008764

IUPAC5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O/c1-2-6(3-4-10)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,10-11H2,1H3,(H2,12,13,14,15)
InChIKeySFDOEVVCLXNSPB-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.11
Rot. Bonds5

About 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one

5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 137008764) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID137008764
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O/c1-2-6(3-4-10)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,10-11H2,1H3,(H2,12,13,14,15)
InChIKeySFDOEVVCLXNSPB-UHFFFAOYSA-N
XLogP-0.11
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 137016684
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
CID 136977293
5-bromo-4-(1-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 136972120
4-(1-chlorobutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136971853
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one (CID 137008764) is 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one is CCC(CCN)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is SFDOEVVCLXNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-6(3-4-10)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,10-11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 211.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).