(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine

C23H27N5 — CID 69241485

IUPAC(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(C=Cc3ccccn3)nc(N[C@H]3CC[C@@H](N)CC3C)c2c1
InChIInChI=1S/C23H27N5/c1-15-6-9-21-19(13-15)23(27-20-10-7-17(24)14-16(20)2)28-22(26-21)11-8-18-5-3-4-12-25-18/h3-6,8-9,11-13,16-17,20H,7,10,14,24H2,1-2H3,(H,26,27,28)/t16?,17-,20+/m1/s1
InChIKeyGRZNANUICUJEDB-HXCIKOOASA-N
MW373.50 g/mol
LogP4.43
Rot. Bonds4

About (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine

(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 69241485) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID69241485
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCc1ccc2nc(C=Cc3ccccn3)nc(N[C@H]3CC[C@@H](N)CC3C)c2c1
InChIInChI=1S/C23H27N5/c1-15-6-9-21-19(13-15)23(27-20-10-7-17(24)14-16(20)2)28-22(26-21)11-8-18-5-3-4-12-25-18/h3-6,8-9,11-13,16-17,20H,7,10,14,24H2,1-2H3,(H,26,27,28)/t16?,17-,20+/m1/s1
InChIKeyGRZNANUICUJEDB-HXCIKOOASA-N
XLogP4.43
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69239806
N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
CID 69239625
4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69240334
trans-(1R,3R)-1-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,3-diamine
CID 69240298
2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
CID 69021828
cis-(1R,2S)-2-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexane-1,2-diamine
CID 69240715
2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide
CID 22667959
2-[(1R,3R)-3-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 69024255
N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
CID 80907681
4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241897
4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
CID 69238337
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine (CID 69241485) is (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine is Cc1ccc2nc(C=Cc3ccccn3)nc(N[C@H]3CC[C@@H](N)CC3C)c2c1.
What is the InChIKey of (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is GRZNANUICUJEDB-HXCIKOOASA-N. The full InChI is InChI=1S/C23H27N5/c1-15-6-9-21-19(13-15)23(27-20-10-7-17(24)14-16(20)2)28-22(26-21)11-8-18-5-3-4-12-25-18/h3-6,8-9,11-13,16-17,20H,7,10,14,24H2,1-2H3,(H,26,27,28)/t16?,17-,20+/m1/s1.
What are the key properties of (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 373.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69241485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).