1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride

C18H32Cl2N4O — CID 12857656

IUPAC1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
SMILESCc1cc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc(C)c1Cl.Cl
InChIInChI=1S/C18H31ClN4O.ClH/c1-12(2)22(13(3)4)9-10-23(18(24)21(7)8)16-11-14(5)17(19)15(6)20-16;/h11-13H,9-10H2,1-8H3;1H
InChIKeyPSLJYITXVSWMQK-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.38
Rot. Bonds6

About 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride

1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride (PubChem CID 12857656) has the molecular formula C18H32Cl2N4O and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
PubChem CID12857656
Molecular FormulaC18H32Cl2N4O
Molecular Weight391.39 g/mol
Exact Mass390.20
IUPAC Name1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
SMILESCc1cc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc(C)c1Cl.Cl
InChIInChI=1S/C18H31ClN4O.ClH/c1-12(2)22(13(3)4)9-10-23(18(24)21(7)8)16-11-14(5)17(19)15(6)20-16;/h11-13H,9-10H2,1-8H3;1H
InChIKeyPSLJYITXVSWMQK-UHFFFAOYSA-N
XLogP4.38
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride with MolForge

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Related Compounds

YM-976
CID 6604918
N-(2-Diisopropylaminoethyl)-N-(4,6-dimethyl-2-pyridyl)-N',N'-dimethylurea
CID 173407
1-(4,6-Dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
CID 12857641
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-(6-methyl-2-pyridinyl)urea;hydrochloride
CID 12857648
1-(5-Chloro-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea
CID 12857649
1-(6-Chloro-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857651
1-(6-Chloro-4-methyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857654
1-(4,6-Dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(methylamino)ethyl]urea;dihydrobromide
CID 20339445
1-[2-[Di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
CID 22753551
1-[2-[Benzyl(propan-2-yl)amino]ethyl]-1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethylurea;dihydrobromide
CID 12857638
1-(4,6-Dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide
CID 12857662

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
The IUPAC name of 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride (CID 12857656) is 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride.
What is the SMILES notation for 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
The canonical SMILES for 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride is Cc1cc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)nc(C)c1Cl.Cl.
What is the InChIKey of 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
The InChIKey is PSLJYITXVSWMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN4O.ClH/c1-12(2)22(13(3)4)9-10-23(18(24)21(7)8)16-11-14(5)17(19)15(6)20-16;/h11-13H,9-10H2,1-8H3;1H.
What are the key properties of 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride has a molecular weight of 391.39 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride is sourced from PubChem (CID 12857656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).