1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine

C14H16N4 — CID 55108301

IUPAC1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2Cc1ncccn1
InChIInChI=1S/C14H16N4/c15-12-5-1-6-13-11(12)4-2-9-18(13)10-14-16-7-3-8-17-14/h1,3,5-8H,2,4,9-10,15H2
InChIKeyBZTWILVSSGVVFV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.01
Rot. Bonds2

About 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine

1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 55108301) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
PubChem CID55108301
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2Cc1ncccn1
InChIInChI=1S/C14H16N4/c15-12-5-1-6-13-11(12)4-2-9-18(13)10-14-16-7-3-8-17-14/h1,3,5-8H,2,4,9-10,15H2
InChIKeyBZTWILVSSGVVFV-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-phenylpyrimidine
CID 598777
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Quinazolin-2-amine
CID 519332
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Sri-9439
CID 446752
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
Quinazolin-7-amine
CID 16663769
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine (CID 55108301) is 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine is Nc1cccc2c1CCCN2Cc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is BZTWILVSSGVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-12-5-1-6-13-11(12)4-2-9-18(13)10-14-16-7-3-8-17-14/h1,3,5-8H,2,4,9-10,15H2.
What are the key properties of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine?
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 240.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 55108301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).