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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Related Compounds

6-(chloromethyl)-3-cyclopropylquinoline
CID 134178572
6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline
CID 171089580
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 131941094
N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide
CID 175600655
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 171090415
6-[(2-bromo-2H-pyridin-1-yl)methyl]-3-cyclopropylquinoline
CID 175795450
6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
CID 131198007
6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171089636
4-[[(6-chloropyrimidin-4-yl)amino]methyl]-2,6-dimethylphenol
CID 171090096
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986

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).