4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride

C7H13ClN4O — CID 135962964

IUPAC4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)(N)c1nc(N)cc(=O)[nH]1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-7(2,9)6-10-4(8)3-5(12)11-6;/h3H,9H2,1-2H3,(H3,8,10,11,12);1H
InChIKeyQPOQXDWNTCGKOP-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.03
Rot. Bonds1

About 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride

4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135962964) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID135962964
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)(N)c1nc(N)cc(=O)[nH]1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-7(2,9)6-10-4(8)3-5(12)11-6;/h3H,9H2,1-2H3,(H3,8,10,11,12);1H
InChIKeyQPOQXDWNTCGKOP-UHFFFAOYSA-N
XLogP-0.03
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride (CID 135962964) is 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride is CC(C)(N)c1nc(N)cc(=O)[nH]1.Cl.
What is the InChIKey of 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is QPOQXDWNTCGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-7(2,9)6-10-4(8)3-5(12)11-6;/h3H,9H2,1-2H3,(H3,8,10,11,12);1H.
What are the key properties of 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride?
4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135962964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).