2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one

C12H15N5O — CID 136750493

IUPAC2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCc2ccncn2)cc(=O)[nH]1
InChIInChI=1S/C12H15N5O/c1-8(2)12-16-10(5-11(18)17-12)14-6-9-3-4-13-7-15-9/h3-5,7-8H,6H2,1-2H3,(H2,14,16,17,18)
InChIKeySFYAMSMZLONBGW-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.30
Rot. Bonds4

About 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one

2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136750493) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136750493
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCc2ccncn2)cc(=O)[nH]1
InChIInChI=1S/C12H15N5O/c1-8(2)12-16-10(5-11(18)17-12)14-6-9-3-4-13-7-15-9/h3-5,7-8H,6H2,1-2H3,(H2,14,16,17,18)
InChIKeySFYAMSMZLONBGW-UHFFFAOYSA-N
XLogP1.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one (CID 136750493) is 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one is CC(C)c1nc(NCc2ccncn2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is SFYAMSMZLONBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)12-16-10(5-11(18)17-12)14-6-9-3-4-13-7-15-9/h3-5,7-8H,6H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136750493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).