1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea

C14H25N5O — CID 75501516

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea
SMILESCCc1ncc(NC(=O)N(CCN(C)C)C(C)C)cn1
InChIInChI=1S/C14H25N5O/c1-6-13-15-9-12(10-16-13)17-14(20)19(11(2)3)8-7-18(4)5/h9-11H,6-8H2,1-5H3,(H,17,20)
InChIKeyABURIUDZTDTSCT-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea

1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea (PubChem CID 75501516) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea
PubChem CID75501516
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea
SMILESCCc1ncc(NC(=O)N(CCN(C)C)C(C)C)cn1
InChIInChI=1S/C14H25N5O/c1-6-13-15-9-12(10-16-13)17-14(20)19(11(2)3)8-7-18(4)5/h9-11H,6-8H2,1-5H3,(H,17,20)
InChIKeyABURIUDZTDTSCT-UHFFFAOYSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea 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-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea (CID 75501516) is 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea is CCc1ncc(NC(=O)N(CCN(C)C)C(C)C)cn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea?
The InChIKey is ABURIUDZTDTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-13-15-9-12(10-16-13)17-14(20)19(11(2)3)8-7-18(4)5/h9-11H,6-8H2,1-5H3,(H,17,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea?
1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea has a molecular weight of 279.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-ethylpyrimidin-5-yl)-1-propan-2-ylurea is sourced from PubChem (CID 75501516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).