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

C18H33ClN4O — CID 12857642

IUPAC1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
SMILESCc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1.Cl
InChIInChI=1S/C18H32N4O.ClH/c1-13(2)21(14(3)4)9-10-22(18(23)20(7)8)17-12-15(5)11-16(6)19-17;/h11-14H,9-10H2,1-8H3;1H
InChIKeyLPKYQPUIXYHAEL-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.73
Rot. Bonds6

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

1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride (PubChem CID 12857642) has the molecular formula C18H33ClN4O and a molecular weight of 356.94 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
PubChem CID12857642
Molecular FormulaC18H33ClN4O
Molecular Weight356.94 g/mol
Exact Mass356.23
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
SMILESCc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1.Cl
InChIInChI=1S/C18H32N4O.ClH/c1-13(2)21(14(3)4)9-10-22(18(23)20(7)8)17-12-15(5)11-16(6)19-17;/h11-14H,9-10H2,1-8H3;1H
InChIKeyLPKYQPUIXYHAEL-UHFFFAOYSA-N
XLogP3.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride (CID 12857642) is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride is Cc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1.Cl.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
The InChIKey is LPKYQPUIXYHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O.ClH/c1-13(2)21(14(3)4)9-10-22(18(23)20(7)8)17-12-15(5)11-16(6)19-17;/h11-14H,9-10H2,1-8H3;1H.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride?
1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.73, 6 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-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride is sourced from PubChem (CID 12857642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).