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

C7H12N4O — CID 135786483

IUPAC5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O/c1-4(2)11-6-5(8)7(12)10-3-9-6/h3-4H,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyBCOQSPOJLPUWRR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.17
Rot. Bonds2

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

5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 135786483) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID135786483
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O/c1-4(2)11-6-5(8)7(12)10-3-9-6/h3-4H,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyBCOQSPOJLPUWRR-UHFFFAOYSA-N
XLogP0.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 135786483) is 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is BCOQSPOJLPUWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)11-6-5(8)7(12)10-3-9-6/h3-4H,8H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135786483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).