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

C8H14N4O2 — CID 136976716

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

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

5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976716) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136976716
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-5(2-3-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyHBKXSIHZRFBGAW-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

5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
4-(5-hydroxypentan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956973
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one (CID 136976716) is 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one is CC(CCO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is HBKXSIHZRFBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2-3-13)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-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(4-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-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).