1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

C14H21N5O2 — CID 136627417

IUPAC1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESC=CCN(CC=C)CCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H21N5O2/c1-4-7-19(8-5-2)9-6-15-14(21)18-13-16-11(3)10-12(20)17-13/h4-5,10H,1-2,6-9H2,3H3,(H3,15,16,17,18,20,21)
InChIKeyDZPLNXBYRNJBCI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.87
Rot. Bonds8

About 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 136627417) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID136627417
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESC=CCN(CC=C)CCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H21N5O2/c1-4-7-19(8-5-2)9-6-15-14(21)18-13-16-11(3)10-12(20)17-13/h4-5,10H,1-2,6-9H2,3H3,(H3,15,16,17,18,20,21)
InChIKeyDZPLNXBYRNJBCI-UHFFFAOYSA-N
XLogP0.87
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 136627417) is 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is C=CCN(CC=C)CCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is DZPLNXBYRNJBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-7-19(8-5-2)9-6-15-14(21)18-13-16-11(3)10-12(20)17-13/h4-5,10H,1-2,6-9H2,3H3,(H3,15,16,17,18,20,21).
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 291.35 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 136627417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).