5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine

C19H23N5 — CID 69462389

IUPAC5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine
SMILESCc1ccncc1-c1ccc2nc(CC(N)CCCN)ncc2c1
InChIInChI=1S/C19H23N5/c1-13-6-8-22-12-17(13)14-4-5-18-15(9-14)11-23-19(24-18)10-16(21)3-2-7-20/h4-6,8-9,11-12,16H,2-3,7,10,20-21H2,1H3
InChIKeyRAXABBJDGUIVPM-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.61
Rot. Bonds6

About 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine

5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine (PubChem CID 69462389) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine
PubChem CID69462389
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine
SMILESCc1ccncc1-c1ccc2nc(CC(N)CCCN)ncc2c1
InChIInChI=1S/C19H23N5/c1-13-6-8-22-12-17(13)14-4-5-18-15(9-14)11-23-19(24-18)10-16(21)3-2-7-20/h4-6,8-9,11-12,16H,2-3,7,10,20-21H2,1H3
InChIKeyRAXABBJDGUIVPM-UHFFFAOYSA-N
XLogP2.61
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine?
The IUPAC name of 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine (CID 69462389) is 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine.
What is the SMILES notation for 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine?
The canonical SMILES for 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine is Cc1ccncc1-c1ccc2nc(CC(N)CCCN)ncc2c1.
What is the InChIKey of 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine?
The InChIKey is RAXABBJDGUIVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13-6-8-22-12-17(13)14-4-5-18-15(9-14)11-23-19(24-18)10-16(21)3-2-7-20/h4-6,8-9,11-12,16H,2-3,7,10,20-21H2,1H3.
What are the key properties of 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine?
5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine has a molecular weight of 321.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pentane-1,4-diamine is sourced from PubChem (CID 69462389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).