2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

C14H24N4O — CID 136752201

IUPAC2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-4-18(9-5-8-17(2)3)12-10-13(19)16-14(15-12)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyWKBKEGUAESKGPR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds7

About 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752201) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752201
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-4-18(9-5-8-17(2)3)12-10-13(19)16-14(15-12)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyWKBKEGUAESKGPR-UHFFFAOYSA-N
XLogP1.43
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
2-cyclopropyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973713
2-cyclopropyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975604
2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976578
2-cyclopropyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976589
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-[(3-amino-2,2-difluoropropyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136989531
4-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989920
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
2-cyclopropyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136990018
2-cyclopropyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009213

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752201) is 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CCCN(C)C)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WKBKEGUAESKGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18(9-5-8-17(2)3)12-10-13(19)16-14(15-12)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,16,19).
What are the key properties of 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).