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

C16H28N4O — CID 136752207

IUPAC2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-19(5-2)10-7-11-20(6-3)14-12-15(21)18-16(17-14)13-8-9-13/h12-13H,4-11H2,1-3H3,(H,17,18,21)
InChIKeyPBOOZYMMHBUUPN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.21
Rot. Bonds9

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

2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752207) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752207
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-19(5-2)10-7-11-20(6-3)14-12-15(21)18-16(17-14)13-8-9-13/h12-13H,4-11H2,1-3H3,(H,17,18,21)
InChIKeyPBOOZYMMHBUUPN-UHFFFAOYSA-N
XLogP2.21
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
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(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
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009243
2-cyclopropyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009246
2-cyclopropyl-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009956
4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135797587
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
2-(Azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84676226

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752207) is 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CC)CCCN(CC)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is PBOOZYMMHBUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-19(5-2)10-7-11-20(6-3)14-12-15(21)18-16(17-14)13-8-9-13/h12-13H,4-11H2,1-3H3,(H,17,18,21).
What are the key properties of 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).