2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one

C9H14N4O2 — CID 174876938

IUPAC2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one
SMILESCC(O)C(N)C(=O)c1ccnc(CN)n1
InChIInChI=1S/C9H14N4O2/c1-5(14)8(11)9(15)6-2-3-12-7(4-10)13-6/h2-3,5,8,14H,4,10-11H2,1H3
InChIKeyLDUGZELUAFNNDT-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.17
Rot. Bonds4

About 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one

2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one (PubChem CID 174876938) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one
PubChem CID174876938
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one
SMILESCC(O)C(N)C(=O)c1ccnc(CN)n1
InChIInChI=1S/C9H14N4O2/c1-5(14)8(11)9(15)6-2-3-12-7(4-10)13-6/h2-3,5,8,14H,4,10-11H2,1H3
InChIKeyLDUGZELUAFNNDT-UHFFFAOYSA-N
XLogP-1.17
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-(pentylamino)butan-1-one
CID 175314076
1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]pentan-1-one
CID 175068918
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
CID 119031436
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
N-[3-[[(2S)-1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 141465061
2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
ethyl 3-methyl-2-(2-methylpyrimidine-4-carbonyl)butanoate
CID 113329644
[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
CID 79089467
N-[4-(2-chloroacetyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138484901

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one?
The IUPAC name of 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one (CID 174876938) is 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one?
The canonical SMILES for 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one is CC(O)C(N)C(=O)c1ccnc(CN)n1.
What is the InChIKey of 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one?
The InChIKey is LDUGZELUAFNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(14)8(11)9(15)6-2-3-12-7(4-10)13-6/h2-3,5,8,14H,4,10-11H2,1H3.
What are the key properties of 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one?
2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one has a molecular weight of 210.24 g/mol, XLogP of -1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(aminomethyl)pyrimidin-4-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 174876938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).