6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine

C17H15ClN4 — CID 171090359

IUPAC6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc3ncc(C4CC4)cc3c2)ncn1
InChIInChI=1S/C17H15ClN4/c18-16-7-17(22-10-21-16)20-8-11-1-4-15-13(5-11)6-14(9-19-15)12-2-3-12/h1,4-7,9-10,12H,2-3,8H2,(H,20,21,22)
InChIKeyRUBATLHFAFHZIA-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.17
Rot. Bonds4

About 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine

6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine (PubChem CID 171090359) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine
PubChem CID171090359
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc3ncc(C4CC4)cc3c2)ncn1
InChIInChI=1S/C17H15ClN4/c18-16-7-17(22-10-21-16)20-8-11-1-4-15-13(5-11)6-14(9-19-15)12-2-3-12/h1,4-7,9-10,12H,2-3,8H2,(H,20,21,22)
InChIKeyRUBATLHFAFHZIA-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine (CID 171090359) is 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine is Clc1cc(NCc2ccc3ncc(C4CC4)cc3c2)ncn1.
What is the InChIKey of 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine?
The InChIKey is RUBATLHFAFHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-16-7-17(22-10-21-16)20-8-11-1-4-15-13(5-11)6-14(9-19-15)12-2-3-12/h1,4-7,9-10,12H,2-3,8H2,(H,20,21,22).
What are the key properties of 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine?
6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine has a molecular weight of 310.79 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 171090359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).