1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea

C14H19N5OS — CID 94124053

IUPAC1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](c1cccs1)N(C)C(=O)NCCNc1ncccn1
InChIInChI=1S/C14H19N5OS/c1-11(12-5-3-10-21-12)19(2)14(20)18-9-8-17-13-15-6-4-7-16-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)(H,15,16,17)/t11-/m1/s1
InChIKeyZVCIXGGWOKRNLZ-LLVKDONJSA-N
MW305.41 g/mol
LogP2.35
Rot. Bonds6

About 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea

1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea (PubChem CID 94124053) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
PubChem CID94124053
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](c1cccs1)N(C)C(=O)NCCNc1ncccn1
InChIInChI=1S/C14H19N5OS/c1-11(12-5-3-10-21-12)19(2)14(20)18-9-8-17-13-15-6-4-7-16-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)(H,15,16,17)/t11-/m1/s1
InChIKeyZVCIXGGWOKRNLZ-LLVKDONJSA-N
XLogP2.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 51959987
3-(2-chloro-3-pyridinyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47435001
N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62179603
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325
1-methyl-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94125224
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea (CID 94124053) is 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea is C[C@H](c1cccs1)N(C)C(=O)NCCNc1ncccn1.
What is the InChIKey of 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
The InChIKey is ZVCIXGGWOKRNLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11(12-5-3-10-21-12)19(2)14(20)18-9-8-17-13-15-6-4-7-16-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)(H,15,16,17)/t11-/m1/s1.
What are the key properties of 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea has a molecular weight of 305.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 94124053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).