4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one

C13H19N3O — CID 136957917

IUPAC4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CC2CC2)CC2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O/c1-9-14-12(6-13(17)15-9)16(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H,14,15,17)
InChIKeySNBXTJUFEFZVST-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds5

About 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957917) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957917
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CC2CC2)CC2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O/c1-9-14-12(6-13(17)15-9)16(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H,14,15,17)
InChIKeySNBXTJUFEFZVST-UHFFFAOYSA-N
XLogP1.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957646
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 137008098
4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958004
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979848
N-ethyl-2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 137015619

Frequently Asked Questions

What is the IUPAC name of 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136957917) is 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(CC2CC2)CC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SNBXTJUFEFZVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-14-12(6-13(17)15-9)16(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H,14,15,17).
What are the key properties of 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).