1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea

C18H32N4O — CID 12857641

IUPAC1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
SMILESCCCN(CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1
InChIInChI=1S/C18H32N4O/c1-7-9-21(10-8-2)11-12-22(18(23)20(5)6)17-14-15(3)13-16(4)19-17/h13-14H,7-12H2,1-6H3
InChIKeyULJZKOHCQLMBLX-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.31
Rot. Bonds8

About 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea

1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea (PubChem CID 12857641) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
PubChem CID12857641
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
SMILESCCCN(CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1
InChIInChI=1S/C18H32N4O/c1-7-9-21(10-8-2)11-12-22(18(23)20(5)6)17-14-15(3)13-16(4)19-17/h13-14H,7-12H2,1-6H3
InChIKeyULJZKOHCQLMBLX-UHFFFAOYSA-N
XLogP3.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115
1-(2,2-Dimethylpropyl)-3-methyl-5-phenylimidazo[4,5-b]pyridin-2-one
CID 89735186
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539477
(3R,5S)-N,1-dibenzyl-3,5,8-trimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
CID 134133599
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 162673782
1-benzyl-4-(methylamino)-7-(trifluoro-methyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608883
4-Cyclohexyl-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
CID 9925883
N-(2-Diisopropylaminoethyl)-N-(4,6-dimethyl-2-pyridyl)-N',N'-dimethylurea
CID 173407
1-(2-Chloroethyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 10489498
1-(4,6-Dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857642
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(4-methyl-2-pyridinyl)urea;hydrochloride
CID 12857645
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(5-methyl-2-pyridinyl)urea
CID 12857646

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea (CID 12857641) is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea is CCCN(CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
The InChIKey is ULJZKOHCQLMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-7-9-21(10-8-2)11-12-22(18(23)20(5)6)17-14-15(3)13-16(4)19-17/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea has a molecular weight of 320.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea is sourced from PubChem (CID 12857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).