4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C12H20N4O — CID 136989480

IUPAC4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(N)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-7(2)12-15-10(5-11(17)16-12)14-6-9(13)8-3-4-8/h5,7-9H,3-4,6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyARFLWVRWJWRDNL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.04
Rot. Bonds5

About 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136989480) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136989480
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(N)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-7(2)12-15-10(5-11(17)16-12)14-6-9(13)8-3-4-8/h5,7-9H,3-4,6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyARFLWVRWJWRDNL-UHFFFAOYSA-N
XLogP1.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974289
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869173
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136989480) is 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC(N)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ARFLWVRWJWRDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)12-15-10(5-11(17)16-12)14-6-9(13)8-3-4-8/h5,7-9H,3-4,6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).