5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

C13H23ClN4O — CID 136752198

IUPAC5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-4-17(5-2)8-7-9-18(6-3)12-11(14)13(19)16-10-15-12/h10H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyVRRAWMIRKOKBCK-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.98
Rot. Bonds8

About 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752198) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752198
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-4-17(5-2)8-7-9-18(6-3)12-11(14)13(19)16-10-15-12/h10H,4-9H2,1-3H3,(H,15,16,19)
InChIKeyVRRAWMIRKOKBCK-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971134
4-[(3-amino-2,2-difluoropropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136979149
5-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009242
5-chloro-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009782
6-Amino-3-butyl-5-chloropyrimidin-4-one
CID 122155177
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713546
5-chloro-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726418
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726434
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752198) is 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CC)CCCN(CC)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is VRRAWMIRKOKBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-4-17(5-2)8-7-9-18(6-3)12-11(14)13(19)16-10-15-12/h10H,4-9H2,1-3H3,(H,15,16,19).
What are the key properties of 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 286.81 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).