N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine

C16H21N5 — CID 81424586

IUPACN-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
SMILESCCCNCC1CCc2nc(-c3ccncn3)ncc2C1
InChIInChI=1S/C16H21N5/c1-2-6-17-9-12-3-4-14-13(8-12)10-19-16(21-14)15-5-7-18-11-20-15/h5,7,10-12,17H,2-4,6,8-9H2,1H3
InChIKeyNWRVVERNHMQSAU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.04
Rot. Bonds5

About N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine

N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine (PubChem CID 81424586) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
PubChem CID81424586
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
SMILESCCCNCC1CCc2nc(-c3ccncn3)ncc2C1
InChIInChI=1S/C16H21N5/c1-2-6-17-9-12-3-4-14-13(8-12)10-19-16(21-14)15-5-7-18-11-20-15/h5,7,10-12,17H,2-4,6,8-9H2,1H3
InChIKeyNWRVVERNHMQSAU-UHFFFAOYSA-N
XLogP2.04
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
CID 81425625
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
CID 81425753
N-[[2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424580
N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424942
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425515
(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425975
2-methoxy-N-[[2-(propylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424448
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424418
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine
CID 81424472

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine (CID 81424586) is N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine is CCCNCC1CCc2nc(-c3ccncn3)ncc2C1.
What is the InChIKey of N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
The InChIKey is NWRVVERNHMQSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-6-17-9-12-3-4-14-13(8-12)10-19-16(21-14)15-5-7-18-11-20-15/h5,7,10-12,17H,2-4,6,8-9H2,1H3.
What are the key properties of N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine?
N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 81424586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).