N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C18H21N3 — CID 63080809

IUPACN-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(C3(c4ccccc4)CC3)ncc21
InChIInChI=1S/C18H21N3/c1-19-15-8-5-9-16-14(15)12-20-17(21-16)18(10-11-18)13-6-3-2-4-7-13/h2-4,6-7,12,15,19H,5,8-11H2,1H3
InChIKeyHHLPTLSPFWIJJS-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.15
Rot. Bonds3

About N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 63080809) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID63080809
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(C3(c4ccccc4)CC3)ncc21
InChIInChI=1S/C18H21N3/c1-19-15-8-5-9-16-14(15)12-20-17(21-16)18(10-11-18)13-6-3-2-4-7-13/h2-4,6-7,12,15,19H,5,8-11H2,1H3
InChIKeyHHLPTLSPFWIJJS-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Related Compounds

N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
4-[5-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,2-diol
CID 136889223
2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385197
2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385045
2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62009869
N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65197983
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385123
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103083722
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
2-[4-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 115525196
N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385127

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 63080809) is N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CNC1CCCc2nc(C3(c4ccccc4)CC3)ncc21.
What is the InChIKey of N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is HHLPTLSPFWIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-19-15-8-5-9-16-14(15)12-20-17(21-16)18(10-11-18)13-6-3-2-4-7-13/h2-4,6-7,12,15,19H,5,8-11H2,1H3.
What are the key properties of N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 279.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 63080809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).