2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one

C7H10N4O — CID 135509791

IUPAC2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NC2CC2)cc(=O)[nH]1
InChIInChI=1S/C7H10N4O/c8-7-10-5(3-6(12)11-7)9-4-1-2-4/h3-4H,1-2H2,(H4,8,9,10,11,12)
InChIKeyMINGBVZEDKVJRJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.07
Rot. Bonds2

About 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one

2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one (PubChem CID 135509791) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one
PubChem CID135509791
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NC2CC2)cc(=O)[nH]1
InChIInChI=1S/C7H10N4O/c8-7-10-5(3-6(12)11-7)9-4-1-2-4/h3-4H,1-2H2,(H4,8,9,10,11,12)
InChIKeyMINGBVZEDKVJRJ-UHFFFAOYSA-N
XLogP-0.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one (CID 135509791) is 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one is Nc1nc(NC2CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one?
The InChIKey is MINGBVZEDKVJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-7-10-5(3-6(12)11-7)9-4-1-2-4/h3-4H,1-2H2,(H4,8,9,10,11,12).
What are the key properties of 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one?
2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135509791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).