2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C13H21N3O — CID 137015526

IUPAC2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2C(C)(C)C2(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-8-15-10(6-11(17)16-8)14-7-9-12(2,3)13(9,4)5/h6,9H,7H2,1-5H3,(H2,14,15,16,17)
InChIKeyOQNFCDHRWRGZCC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137015526) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID137015526
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2C(C)(C)C2(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-8-15-10(6-11(17)16-8)14-7-9-12(2,3)13(9,4)5/h6,9H,7H2,1-5H3,(H2,14,15,16,17)
InChIKeyOQNFCDHRWRGZCC-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857183
4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956893
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136964282
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136977126
2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 137015526) is 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2C(C)(C)C2(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OQNFCDHRWRGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-15-10(6-11(17)16-8)14-7-9-12(2,3)13(9,4)5/h6,9H,7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137015526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).