N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine

C17H22N4 — CID 81425625

IUPACN-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
SMILESCCCNCC1CCc2nc(-c3cccnc3)ncc2C1
InChIInChI=1S/C17H22N4/c1-2-7-18-10-13-5-6-16-15(9-13)12-20-17(21-16)14-4-3-8-19-11-14/h3-4,8,11-13,18H,2,5-7,9-10H2,1H3
InChIKeyGNYXFMYMKALLOM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.64
Rot. Bonds5

About N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine

N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine (PubChem CID 81425625) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
PubChem CID81425625
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
SMILESCCCNCC1CCc2nc(-c3cccnc3)ncc2C1
InChIInChI=1S/C17H22N4/c1-2-7-18-10-13-5-6-16-15(9-13)12-20-17(21-16)14-4-3-8-19-11-14/h3-4,8,11-13,18H,2,5-7,9-10H2,1H3
InChIKeyGNYXFMYMKALLOM-UHFFFAOYSA-N
XLogP2.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Msx-122
CID 11687907
Rilpivirine Hydrochloride
CID 11711114
Amprolium ion
CID 2178
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sri-9439
CID 446752

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine (CID 81425625) is N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine is CCCNCC1CCc2nc(-c3cccnc3)ncc2C1.
What is the InChIKey of N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
The InChIKey is GNYXFMYMKALLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-7-18-10-13-5-6-16-15(9-13)12-20-17(21-16)14-4-3-8-19-11-14/h3-4,8,11-13,18H,2,5-7,9-10H2,1H3.
What are the key properties of N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 81425625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).