6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile

C19H14ClN7 — CID 24778443

IUPAC6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(Cc3cccnc3)c2n1
InChIInChI=1S/C19H14ClN7/c20-15-5-3-13(4-6-15)10-23-18-17-19(26-16(8-21)25-18)27(12-24-17)11-14-2-1-7-22-9-14/h1-7,9,12H,10-11H2,(H,23,25,26)
InChIKeySZXMCUMCONYTJU-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.41
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile

6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile (PubChem CID 24778443) has the molecular formula C19H14ClN7 and a molecular weight of 375.82 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile
PubChem CID24778443
Molecular FormulaC19H14ClN7
Molecular Weight375.82 g/mol
Exact Mass375.10
IUPAC Name6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(Cc3cccnc3)c2n1
InChIInChI=1S/C19H14ClN7/c20-15-5-3-13(4-6-15)10-23-18-17-19(26-16(8-21)25-18)27(12-24-17)11-14-2-1-7-22-9-14/h1-7,9,12H,10-11H2,(H,23,25,26)
InChIKeySZXMCUMCONYTJU-UHFFFAOYSA-N
XLogP3.41
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[4-(3-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile
CID 44583522
6-chloro-N-[[4-[[2-fluoro-6-(pyridin-3-ylmethylamino)purin-9-yl]methyl]phenyl]methyl]-2-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 146289671
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
6-[(3,4-dichlorophenyl)methylamino]-9-[3-(methoxymethoxy)propyl]purine-2-carbonitrile
CID 24776684
4-[2-[[2-(pyridin-3-ylmethylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethyl]phenol
CID 117082814
N-benzyl-2-chloro-9-[(2,6-difluoro-3-methylphenyl)methyl]purin-6-amine
CID 89199326
[3,4-diacetyloxy-5-[6-[(4-chlorophenyl)methylamino]-2-cyanopurin-9-yl]oxolan-2-yl]methyl acetate
CID 69195945
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117088689
N-benzyl-2-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 24777799
2-diethylphosphoryl-N,9-bis[(4-methoxyphenyl)methyl]purin-6-amine
CID 170722651

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile (CID 24778443) is 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile is N#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(Cc3cccnc3)c2n1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile?
The InChIKey is SZXMCUMCONYTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7/c20-15-5-3-13(4-6-15)10-23-18-17-19(26-16(8-21)25-18)27(12-24-17)11-14-2-1-7-22-9-14/h1-7,9,12H,10-11H2,(H,23,25,26).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile?
6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile has a molecular weight of 375.82 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-9-(pyridin-3-ylmethyl)purine-2-carbonitrile is sourced from PubChem (CID 24778443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).