2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol

C15H28N4O — CID 139430226

IUPAC2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC(C)C1=NCC(C)(CCC(C)C2=NCC(O)CN2)N1
InChIInChI=1S/C15H28N4O/c1-10(2)13-18-9-15(4,19-13)6-5-11(3)14-16-7-12(20)8-17-14/h10-12,20H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKKEUIICJGVSNDK-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol

2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 139430226) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID139430226
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC(C)C1=NCC(C)(CCC(C)C2=NCC(O)CN2)N1
InChIInChI=1S/C15H28N4O/c1-10(2)13-18-9-15(4,19-13)6-5-11(3)14-16-7-12(20)8-17-14/h10-12,20H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKKEUIICJGVSNDK-UHFFFAOYSA-N
XLogP1.18
TPSA69.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol (CID 139430226) is 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol is CC(C)C1=NCC(C)(CCC(C)C2=NCC(O)CN2)N1.
What is the InChIKey of 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is KKEUIICJGVSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10(2)13-18-9-15(4,19-13)6-5-11(3)14-16-7-12(20)8-17-14/h10-12,20H,5-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 280.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 139430226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).