5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine

C17H12Cl2N8 — CID 70702164

IUPAC5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1nc(Nc2ccc(-c3nn[nH]n3)cc2)ncc1Cl
InChIInChI=1S/C17H12Cl2N8/c18-12-3-1-2-4-14(12)22-16-13(19)9-20-17(23-16)21-11-7-5-10(6-8-11)15-24-26-27-25-15/h1-9H,(H2,20,21,22,23)(H,24,25,26,27)
InChIKeyYQQWGLNBSUZDRG-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.45
Rot. Bonds5

About 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine

5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 70702164) has the molecular formula C17H12Cl2N8 and a molecular weight of 399.25 g/mol. Its IUPAC name is 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID70702164
Molecular FormulaC17H12Cl2N8
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC Name5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1nc(Nc2ccc(-c3nn[nH]n3)cc2)ncc1Cl
InChIInChI=1S/C17H12Cl2N8/c18-12-3-1-2-4-14(12)22-16-13(19)9-20-17(23-16)21-11-7-5-10(6-8-11)15-24-26-27-25-15/h1-9H,(H2,20,21,22,23)(H,24,25,26,27)
InChIKeyYQQWGLNBSUZDRG-UHFFFAOYSA-N
XLogP4.45
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
N~4~-(2-Chlorophenyl)-N~2~-[4-(1h-Tetrazol-5-Yl)phenyl]pyrimidine-2,4-Diamine
CID 56587967
Bisanilinopyrimidine, 12b
CID 70702162
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
4-[[4-(2,4,6-Trichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 488780
(20) 1H-1,2,4-triazol-3-yl-anilines 3-F3C,4-Cl(C6H4) 4-Pyridine
CID 57339851
(21) 1H-1,2,4-triazol-3-yl-anilines 3-Cl,4-F3C(C6H4) 4-Pyridine
CID 57339852
N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4138917
N3-(2,6-dichlorophenyl)-1-(3-(dimethylamino)propyl)-N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 44563041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine (CID 70702164) is 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine is Clc1ccccc1Nc1nc(Nc2ccc(-c3nn[nH]n3)cc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is YQQWGLNBSUZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N8/c18-12-3-1-2-4-14(12)22-16-13(19)9-20-17(23-16)21-11-7-5-10(6-8-11)15-24-26-27-25-15/h1-9H,(H2,20,21,22,23)(H,24,25,26,27).
What are the key properties of 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine?
5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 399.25 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-chlorophenyl)-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70702164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).