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

C10H16N4O — CID 136870774

IUPAC5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1N)C1CC1
InChIInChI=1S/C10H16N4O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyQFNBXRJJWLRCKG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds3

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

5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136870774) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136870774
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1N)C1CC1
InChIInChI=1S/C10H16N4O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyQFNBXRJJWLRCKG-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136870774) is 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is CC(C)(Nc1nc[nH]c(=O)c1N)C1CC1.
What is the InChIKey of 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is QFNBXRJJWLRCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136870774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).