1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea

C11H19N5O — CID 141083687

IUPAC1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea
SMILESCCN(CC)CCNC(=O)Nc1ccncn1
InChIInChI=1S/C11H19N5O/c1-3-16(4-2)8-7-13-11(17)15-10-5-6-12-9-14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyAFYUPAXNXFPQMQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.94
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea

1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea (PubChem CID 141083687) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea
PubChem CID141083687
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea
SMILESCCN(CC)CCNC(=O)Nc1ccncn1
InChIInChI=1S/C11H19N5O/c1-3-16(4-2)8-7-13-11(17)15-10-5-6-12-9-14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyAFYUPAXNXFPQMQ-UHFFFAOYSA-N
XLogP0.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea
CID 127579278
N-pyrimidin-4-ylbutanamide
CID 130272746
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
CID 55925113
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea
CID 143948198
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
ethane;N-ethylpyrimidin-4-amine
CID 167491074

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea (CID 141083687) is 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea is CCN(CC)CCNC(=O)Nc1ccncn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea?
The InChIKey is AFYUPAXNXFPQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-16(4-2)8-7-13-11(17)15-10-5-6-12-9-14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea?
1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea has a molecular weight of 237.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea is sourced from PubChem (CID 141083687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).