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

C15H21N3O — CID 137009734

IUPAC4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CC2)CC2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H21N3O/c19-14-7-13(16-15(17-14)12-5-6-12)18(8-10-1-2-10)9-11-3-4-11/h7,10-12H,1-6,8-9H2,(H,16,17,19)
InChIKeySJOCREQLCDICEI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds6

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

4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 137009734) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID137009734
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CC2)CC2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H21N3O/c19-14-7-13(16-15(17-14)12-5-6-12)18(8-10-1-2-10)9-11-3-4-11/h7,10-12H,1-6,8-9H2,(H,16,17,19)
InChIKeySJOCREQLCDICEI-UHFFFAOYSA-N
XLogP2.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979194
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972967
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497

Frequently Asked Questions

What is the IUPAC name of 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 137009734) is 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(N(CC2CC2)CC2CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is SJOCREQLCDICEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-14-7-13(16-15(17-14)12-5-6-12)18(8-10-1-2-10)9-11-3-4-11/h7,10-12H,1-6,8-9H2,(H,16,17,19).
What are the key properties of 4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 259.35 g/mol, XLogP of 2.27, 6 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-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).