[5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol

C15H14ClN5O — CID 67889366

IUPAC[5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol
SMILESCc1cc2c(N)nc(N)nc2cc1-c1cc(CO)ncc1Cl
InChIInChI=1S/C15H14ClN5O/c1-7-2-11-13(20-15(18)21-14(11)17)4-9(7)10-3-8(6-22)19-5-12(10)16/h2-5,22H,6H2,1H3,(H4,17,18,20,21)
InChIKeyHYKSNPURZZNCNE-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.31
Rot. Bonds2

About [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol

[5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol (PubChem CID 67889366) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol
PubChem CID67889366
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name[5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol
SMILESCc1cc2c(N)nc(N)nc2cc1-c1cc(CO)ncc1Cl
InChIInChI=1S/C15H14ClN5O/c1-7-2-11-13(20-15(18)21-14(11)17)4-9(7)10-3-8(6-22)19-5-12(10)16/h2-5,22H,6H2,1H3,(H4,17,18,20,21)
InChIKeyHYKSNPURZZNCNE-UHFFFAOYSA-N
XLogP2.31
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol?
The IUPAC name of [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol (CID 67889366) is [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol?
The canonical SMILES for [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol is Cc1cc2c(N)nc(N)nc2cc1-c1cc(CO)ncc1Cl.
What is the InChIKey of [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol?
The InChIKey is HYKSNPURZZNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-7-2-11-13(20-15(18)21-14(11)17)4-9(7)10-3-8(6-22)19-5-12(10)16/h2-5,22H,6H2,1H3,(H4,17,18,20,21).
What are the key properties of [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol?
[5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol has a molecular weight of 315.76 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(2,4-diamino-6-methylquinazolin-7-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 67889366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).