6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine

C16H14N6 — CID 67889365

IUPAC6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H14N6/c1-8-4-12-13(21-16(18)22-14(12)17)6-11(8)10-5-9-2-3-19-15(9)20-7-10/h2-7H,1H3,(H,19,20)(H4,17,18,21,22)
InChIKeyJTOMSJOIFXSANF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.65
Rot. Bonds1

About 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine

6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine (PubChem CID 67889365) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine
PubChem CID67889365
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H14N6/c1-8-4-12-13(21-16(18)22-14(12)17)6-11(8)10-5-9-2-3-19-15(9)20-7-10/h2-7H,1H3,(H,19,20)(H4,17,18,21,22)
InChIKeyJTOMSJOIFXSANF-UHFFFAOYSA-N
XLogP2.65
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3213
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CID 23650961
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CID 68853
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CID 11960271
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CID 68947304
CID 68947304
CID 1881
CID 1881
CID 4259181
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CID 9967941
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CID 60182388
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CID 446752
CID 446752

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine (CID 67889365) is 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine is Cc1cc2c(N)nc(N)nc2cc1-c1cnc2[nH]ccc2c1.
What is the InChIKey of 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine?
The InChIKey is JTOMSJOIFXSANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-8-4-12-13(21-16(18)22-14(12)17)6-11(8)10-5-9-2-3-19-15(9)20-7-10/h2-7H,1H3,(H,19,20)(H4,17,18,21,22).
What are the key properties of 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine?
6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 67889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).