1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

C15H26N4O2 — CID 111424877

IUPAC1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H26N4O2/c1-10(2)6-11(9-20)18-14(21)19-12-7-16-13(17-8-12)15(3,4)5/h7-8,10-11,20H,6,9H2,1-5H3,(H2,18,19,21)
InChIKeyGRMNTYPSJIBUKR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 111424877) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID111424877
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H26N4O2/c1-10(2)6-11(9-20)18-14(21)19-12-7-16-13(17-8-12)15(3,4)5/h7-8,10-11,20H,6,9H2,1-5H3,(H2,18,19,21)
InChIKeyGRMNTYPSJIBUKR-UHFFFAOYSA-N
XLogP2.30
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(5-methyl-1,3-oxazol-2-yl)urea
CID 95786606
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
CID 95300949
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926186
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435258
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 111424877) is 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is GRMNTYPSJIBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)6-11(9-20)18-14(21)19-12-7-16-13(17-8-12)15(3,4)5/h7-8,10-11,20H,6,9H2,1-5H3,(H2,18,19,21).
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 111424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).