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

C16H29ClN4O — CID 12857665

IUPAC1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride
SMILESCc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(N)=O)c1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-11(2)19(12(3)4)7-8-20(16(17)21)15-10-13(5)9-14(6)18-15;/h9-12H,7-8H2,1-6H3,(H2,17,21);1H
InChIKeyPTNTZFJQLIZZCL-UHFFFAOYSA-N
MW328.89 g/mol
LogP3.12
Rot. Bonds6

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

1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride (PubChem CID 12857665) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride
PubChem CID12857665
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride
SMILESCc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(N)=O)c1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-11(2)19(12(3)4)7-8-20(16(17)21)15-10-13(5)9-14(6)18-15;/h9-12H,7-8H2,1-6H3,(H2,17,21);1H
InChIKeyPTNTZFJQLIZZCL-UHFFFAOYSA-N
XLogP3.12
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-4-methyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea
CID 12857653
1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea
CID 57254675
N-(4,6-dimethyl-2-pyridinyl)-N-(4-hydroxybutyl)acetamide
CID 12857674
N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide
CID 12857675
1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-[(2-propan-2-ylphenyl)methylamino]ethyl]urea;dihydrobromide
CID 70587987
4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide
CID 117088772
1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea
CID 174812539
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
3-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91834164
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
3-[(2-chloro-6-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 62484040
1-(3,5-dimethylphenyl)-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
CID 111026274

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride (CID 12857665) is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride is Cc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(N)=O)c1.Cl.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride?
The InChIKey is PTNTZFJQLIZZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-11(2)19(12(3)4)7-8-20(16(17)21)15-10-13(5)9-14(6)18-15;/h9-12H,7-8H2,1-6H3,(H2,17,21);1H.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride?
1-(4,6-dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 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]urea;hydrochloride is sourced from PubChem (CID 12857665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).