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

C20H23N5 — CID 69461333

IUPAC1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine
SMILESCc1ccncc1-c1ccc2nc(C3(N)CCC(N)CC3)ncc2c1
InChIInChI=1S/C20H23N5/c1-13-6-9-23-12-17(13)14-2-3-18-15(10-14)11-24-19(25-18)20(22)7-4-16(21)5-8-20/h2-3,6,9-12,16H,4-5,7-8,21-22H2,1H3
InChIKeyBKGMUGHEKDMAJV-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.06
Rot. Bonds2

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

1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine (PubChem CID 69461333) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine
PubChem CID69461333
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine
SMILESCc1ccncc1-c1ccc2nc(C3(N)CCC(N)CC3)ncc2c1
InChIInChI=1S/C20H23N5/c1-13-6-9-23-12-17(13)14-2-3-18-15(10-14)11-24-19(25-18)20(22)7-4-16(21)5-8-20/h2-3,6,9-12,16H,4-5,7-8,21-22H2,1H3
InChIKeyBKGMUGHEKDMAJV-UHFFFAOYSA-N
XLogP3.06
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine (CID 69461333) is 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine is Cc1ccncc1-c1ccc2nc(C3(N)CCC(N)CC3)ncc2c1.
What is the InChIKey of 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is BKGMUGHEKDMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-13-6-9-23-12-17(13)14-2-3-18-15(10-14)11-24-19(25-18)20(22)7-4-16(21)5-8-20/h2-3,6,9-12,16H,4-5,7-8,21-22H2,1H3.
What are the key properties of 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine?
1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69461333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).