5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one

C8H14N4O2 — CID 136973934

IUPAC5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-2-5(3-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyFCZWQKXGDVKRPF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.47
Rot. Bonds4

About 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one

5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136973934) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136973934
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-2-5(3-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyFCZWQKXGDVKRPF-UHFFFAOYSA-N
XLogP-0.47
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2-Amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626459
2-Amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626463
5,6-Diamino-2-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271498
2,5-Diamino-6-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271499
5-amino-2-(dimethylamino)-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136453504
4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
CID 143725444
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one (CID 136973934) is 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one is CCC(CO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FCZWQKXGDVKRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-5(3-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14).
What are the key properties of 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).