1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea

C13H20N4O2 — CID 167906538

IUPAC1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea
SMILESCN(C(=O)Nc1ccncn1)C1CCC(CO)CC1
InChIInChI=1S/C13H20N4O2/c1-17(11-4-2-10(8-18)3-5-11)13(19)16-12-6-7-14-9-15-12/h6-7,9-11,18H,2-5,8H2,1H3,(H,14,15,16,19)
InChIKeyKZDVABUKQCCPSX-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.49
Rot. Bonds3

About 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea

1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea (PubChem CID 167906538) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea
PubChem CID167906538
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea
SMILESCN(C(=O)Nc1ccncn1)C1CCC(CO)CC1
InChIInChI=1S/C13H20N4O2/c1-17(11-4-2-10(8-18)3-5-11)13(19)16-12-6-7-14-9-15-12/h6-7,9-11,18H,2-5,8H2,1H3,(H,14,15,16,19)
InChIKeyKZDVABUKQCCPSX-UHFFFAOYSA-N
XLogP1.49
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea 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

1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
CID 124626898
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea
CID 97018628
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-pyrimidin-4-ylbutanamide
CID 130272746
3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 126769236
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 86816886
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024286
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-N-pyrimidin-4-ylacetamide
CID 87438004
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea (CID 167906538) is 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea is CN(C(=O)Nc1ccncn1)C1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea?
The InChIKey is KZDVABUKQCCPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(11-4-2-10(8-18)3-5-11)13(19)16-12-6-7-14-9-15-12/h6-7,9-11,18H,2-5,8H2,1H3,(H,14,15,16,19).
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea?
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea has a molecular weight of 264.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea is sourced from PubChem (CID 167906538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).