1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea

C15H26N4O2 — CID 164637913

IUPAC1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
SMILESCC(C)(C)c1ccnc(NC(=O)N[C@@H](CO)C(C)(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)10-7-8-16-12(17-10)19-13(21)18-11(9-20)15(4,5)6/h7-8,11,20H,9H2,1-6H3,(H2,16,17,18,19,21)/t11-/m0/s1
InChIKeyOADSKVFXAITOTA-NSHDSACASA-N
MW294.40 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea

1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea (PubChem CID 164637913) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
PubChem CID164637913
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
SMILESCC(C)(C)c1ccnc(NC(=O)N[C@@H](CO)C(C)(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)10-7-8-16-12(17-10)19-13(21)18-11(9-20)15(4,5)6/h7-8,11,20H,9H2,1-6H3,(H2,16,17,18,19,21)/t11-/m0/s1
InChIKeyOADSKVFXAITOTA-NSHDSACASA-N
XLogP2.30
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-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-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The IUPAC name of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea (CID 164637913) is 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea.
What is the SMILES notation for 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The canonical SMILES for 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea is CC(C)(C)c1ccnc(NC(=O)N[C@@H](CO)C(C)(C)C)n1.
What is the InChIKey of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The InChIKey is OADSKVFXAITOTA-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)10-7-8-16-12(17-10)19-13(21)18-11(9-20)15(4,5)6/h7-8,11,20H,9H2,1-6H3,(H2,16,17,18,19,21)/t11-/m0/s1.
What are the key properties of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea is sourced from PubChem (CID 164637913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).