4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C18H25N5 — CID 163351002

IUPAC4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)c1nccn1CC1CN(c2ncnc3c2CCCC3)C1
InChIInChI=1S/C18H25N5/c1-13(2)17-19-7-8-22(17)9-14-10-23(11-14)18-15-5-3-4-6-16(15)20-12-21-18/h7-8,12-14H,3-6,9-11H2,1-2H3
InChIKeyXTACAXMMUBNDNY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.81
Rot. Bonds4

About 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline

4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 163351002) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID163351002
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)c1nccn1CC1CN(c2ncnc3c2CCCC3)C1
InChIInChI=1S/C18H25N5/c1-13(2)17-19-7-8-22(17)9-14-10-23(11-14)18-15-5-3-4-6-16(15)20-12-21-18/h7-8,12-14H,3-6,9-11H2,1-2H3
InChIKeyXTACAXMMUBNDNY-UHFFFAOYSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 163351002) is 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline is CC(C)c1nccn1CC1CN(c2ncnc3c2CCCC3)C1.
What is the InChIKey of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is XTACAXMMUBNDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13(2)17-19-7-8-22(17)9-14-10-23(11-14)18-15-5-3-4-6-16(15)20-12-21-18/h7-8,12-14H,3-6,9-11H2,1-2H3.
What are the key properties of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 311.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 163351002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).