5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one

C10H19N5O — CID 136757150

IUPAC5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O/c1-3-10(2,4-5-11)15-8-7(12)9(16)14-6-13-8/h6H,3-5,11-12H2,1-2H3,(H2,13,14,15,16)
InChIKeyXWJZXCUTOXSMME-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.28
Rot. Bonds5

About 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136757150) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136757150
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O/c1-3-10(2,4-5-11)15-8-7(12)9(16)14-6-13-8/h6H,3-5,11-12H2,1-2H3,(H2,13,14,15,16)
InChIKeyXWJZXCUTOXSMME-UHFFFAOYSA-N
XLogP0.28
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
CID 135453909
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136757150) is 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is CCC(C)(CCN)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is XWJZXCUTOXSMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-10(2,4-5-11)15-8-7(12)9(16)14-6-13-8/h6H,3-5,11-12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.30 g/mol, XLogP of 0.28, 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-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136757150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).