1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea

C11H19N5O — CID 23349868

IUPAC1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
SMILESCN(C)CCN(C(=O)N(C)C)c1ccncn1
InChIInChI=1S/C11H19N5O/c1-14(2)7-8-16(11(17)15(3)4)10-5-6-12-9-13-10/h5-6,9H,7-8H2,1-4H3
InChIKeyKXAWWGCXTKXULG-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.53
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea

1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea (PubChem CID 23349868) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
PubChem CID23349868
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
SMILESCN(C)CCN(C(=O)N(C)C)c1ccncn1
InChIInChI=1S/C11H19N5O/c1-14(2)7-8-16(11(17)15(3)4)10-5-6-12-9-13-10/h5-6,9H,7-8H2,1-4H3
InChIKeyKXAWWGCXTKXULG-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
CID 21329146
1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 23349928
3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid
CID 96614711
1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
CID 23349923
2-amino-4-[carboxy(pyrimidin-4-yl)amino]butanoic acid
CID 174670384
(2S)-2-amino-4-[carboxy(pyrimidin-4-yl)amino]butanoic acid
CID 174670382
1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
CID 23349888
3-[methyl(pyrimidin-4-yl)amino]butanoic acid
CID 83619967
(2S)-2-amino-3-[carboxy(pyrimidin-4-yl)amino]propanoic acid
CID 174670374
N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205392
1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
CID 62332971
1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 130591579

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea (CID 23349868) is 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea is CN(C)CCN(C(=O)N(C)C)c1ccncn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea?
The InChIKey is KXAWWGCXTKXULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-14(2)7-8-16(11(17)15(3)4)10-5-6-12-9-13-10/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea?
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea has a molecular weight of 237.31 g/mol, XLogP of 0.53, 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]-3,3-dimethyl-1-pyrimidin-4-ylurea is sourced from PubChem (CID 23349868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).