(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine

C15H15ClN4 — CID 68692139

IUPAC(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine
SMILESCC1N=C(C(N)c2cccnc2)Nc2cccc(Cl)c21
InChIInChI=1S/C15H15ClN4/c1-9-13-11(16)5-2-6-12(13)20-15(19-9)14(17)10-4-3-7-18-8-10/h2-9,14H,17H2,1H3,(H,19,20)
InChIKeyLJMJJZHUXASFRE-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.32
Rot. Bonds2

About (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine

(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine (PubChem CID 68692139) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine
PubChem CID68692139
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine
SMILESCC1N=C(C(N)c2cccnc2)Nc2cccc(Cl)c21
InChIInChI=1S/C15H15ClN4/c1-9-13-11(16)5-2-6-12(13)20-15(19-9)14(17)10-4-3-7-18-8-10/h2-9,14H,17H2,1H3,(H,19,20)
InChIKeyLJMJJZHUXASFRE-UHFFFAOYSA-N
XLogP3.32
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine?
The IUPAC name of (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine (CID 68692139) is (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine?
The canonical SMILES for (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine is CC1N=C(C(N)c2cccnc2)Nc2cccc(Cl)c21.
What is the InChIKey of (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine?
The InChIKey is LJMJJZHUXASFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9-13-11(16)5-2-6-12(13)20-15(19-9)14(17)10-4-3-7-18-8-10/h2-9,14H,17H2,1H3,(H,19,20).
What are the key properties of (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine?
(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine has a molecular weight of 286.77 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 68692139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).