1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride

C13H24ClN5O — CID 23349923

IUPAC1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
SMILESCc1cc(C)nc(N(CCN(C)C)C(=O)N(C)C)n1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-10-9-11(2)15-12(14-10)18(8-7-16(3)4)13(19)17(5)6;/h9H,7-8H2,1-6H3;1H
InChIKeyAWASKZQPBBGPQH-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride

1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride (PubChem CID 23349923) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
PubChem CID23349923
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
SMILESCc1cc(C)nc(N(CCN(C)C)C(=O)N(C)C)n1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-10-9-11(2)15-12(14-10)18(8-7-16(3)4)13(19)17(5)6;/h9H,7-8H2,1-6H3;1H
InChIKeyAWASKZQPBBGPQH-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
CID 23349888
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
CID 23349868
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
CID 21329146
N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141146722
3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
CID 130407441
1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 23349928
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-(4,4,6-trimethyl-3H-pyridin-2-yl)urea;dihydrobromide
CID 20567882
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109325078
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44947274
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride (CID 23349923) is 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride is Cc1cc(C)nc(N(CCN(C)C)C(=O)N(C)C)n1.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride?
The InChIKey is AWASKZQPBBGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-10-9-11(2)15-12(14-10)18(8-7-16(3)4)13(19)17(5)6;/h9H,7-8H2,1-6H3;1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride?
1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride is sourced from PubChem (CID 23349923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).