7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine

C15H14ClN5O — CID 67616000

IUPAC7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine
SMILESCOc1cc(-c2cc3nc(N)nc(N)c3cc2C)c(Cl)cn1
InChIInChI=1S/C15H14ClN5O/c1-7-3-10-12(20-15(18)21-14(10)17)4-8(7)9-5-13(22-2)19-6-11(9)16/h3-6H,1-2H3,(H4,17,18,20,21)
InChIKeyYTXXFSPZGIELMG-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.83
Rot. Bonds2

About 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine

7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine (PubChem CID 67616000) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine
PubChem CID67616000
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine
SMILESCOc1cc(-c2cc3nc(N)nc(N)c3cc2C)c(Cl)cn1
InChIInChI=1S/C15H14ClN5O/c1-7-3-10-12(20-15(18)21-14(10)17)4-8(7)9-5-13(22-2)19-6-11(9)16/h3-6H,1-2H3,(H4,17,18,20,21)
InChIKeyYTXXFSPZGIELMG-UHFFFAOYSA-N
XLogP2.83
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine (CID 67616000) is 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine is COc1cc(-c2cc3nc(N)nc(N)c3cc2C)c(Cl)cn1.
What is the InChIKey of 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is YTXXFSPZGIELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-7-3-10-12(20-15(18)21-14(10)17)4-8(7)9-5-13(22-2)19-6-11(9)16/h3-6H,1-2H3,(H4,17,18,20,21).
What are the key properties of 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine?
7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 315.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxy-4-pyridinyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 67616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).