N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C16H23N5 — CID 82886435

IUPACN-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(-c3cncn3C)nc(C)c2C1
InChIInChI=1S/C16H23N5/c1-4-17-8-12-5-6-14-13(7-12)11(2)19-16(20-14)15-9-18-10-21(15)3/h9-10,12,17H,4-8H2,1-3H3
InChIKeyCNMDHHXIZQROHB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.90
Rot. Bonds4

About N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 82886435) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID82886435
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(-c3cncn3C)nc(C)c2C1
InChIInChI=1S/C16H23N5/c1-4-17-8-12-5-6-14-13(7-12)11(2)19-16(20-14)15-9-18-10-21(15)3/h9-10,12,17H,4-8H2,1-3H3
InChIKeyCNMDHHXIZQROHB-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 82886435) is N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(-c3cncn3C)nc(C)c2C1.
What is the InChIKey of N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is CNMDHHXIZQROHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-17-8-12-5-6-14-13(7-12)11(2)19-16(20-14)15-9-18-10-21(15)3/h9-10,12,17H,4-8H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 82886435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).