1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine

C14H16N4 — CID 55108489

IUPAC1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2Cc1ncccn1
InChIInChI=1S/C14H16N4/c15-12-4-5-13-11(9-12)3-1-8-18(13)10-14-16-6-2-7-17-14/h2,4-7,9H,1,3,8,10,15H2
InChIKeyAXPYIBVVLMQXCP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.01
Rot. Bonds2

About 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine

1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 55108489) 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-6-amine.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID55108489
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2Cc1ncccn1
InChIInChI=1S/C14H16N4/c15-12-4-5-13-11(9-12)3-1-8-18(13)10-14-16-6-2-7-17-14/h2,4-7,9H,1,3,8,10,15H2
InChIKeyAXPYIBVVLMQXCP-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 113326478
1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
CID 61493158
6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 78860791
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
CID 114473358
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959744

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine (CID 55108489) is 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2Cc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is AXPYIBVVLMQXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-12-4-5-13-11(9-12)3-1-8-18(13)10-14-16-6-2-7-17-14/h2,4-7,9H,1,3,8,10,15H2.
What are the key properties of 1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine?
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-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-6-amine is sourced from PubChem (CID 55108489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).