(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline

C9H14N2 — CID 146206467

IUPAC(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline
SMILESC[C@@H]1CCCC2=C1C=NCN2
InChIInChI=1S/C9H14N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyHTKXVVRGBCTHNM-SSDOTTSWSA-N
MW150.22 g/mol
LogP1.69
Rot. Bonds

About (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline

(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline (PubChem CID 146206467) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline.

Molecular Properties

Compound Name(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline
PubChem CID146206467
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline
SMILESC[C@@H]1CCCC2=C1C=NCN2
InChIInChI=1S/C9H14N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyHTKXVVRGBCTHNM-SSDOTTSWSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline with MolForge

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Related Compounds

3-(5-Methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine
CID 123654693
1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-2-amine
CID 142625786
1,2,5,6,7,8-Hexahydroquinazoline
CID 154082158
4-Methyl-1,2,3,4,5,6-hexahydro-1,8-naphthyridine
CID 156413733
N-methyl-2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
CID 156551890
6-imino-N-methyl-2-[(5-propyl-3,4-dihydropyridin-6-yl)methyl]hexan-1-amine
CID 156551954
6-Tert-butyl-2-methyl-1,2,5,6,7,8-hexahydroquinazoline;ethane
CID 163248837
N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine
CID 163762822
1,2,5,6,7,8-Hexahydroquinazolin-3-ium
CID 173072501
5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861984
5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861986
5-(aminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861987

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline?
The IUPAC name of (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline (CID 146206467) is (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline.
What is the SMILES notation for (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline?
The canonical SMILES for (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline is C[C@@H]1CCCC2=C1C=NCN2.
What is the InChIKey of (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline?
The InChIKey is HTKXVVRGBCTHNM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline?
(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline has a molecular weight of 150.22 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline is sourced from PubChem (CID 146206467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).