5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

C13H10Cl2N6 — CID 155522806

IUPAC5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESClc1cccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)c1
InChIInChI=1S/C13H10Cl2N6/c14-8-2-1-3-9(4-8)19-12-11(15)7-16-13(21-12)20-10-5-17-18-6-10/h1-7H,(H,17,18)(H2,16,19,20,21)
InChIKeyBLANMJBSRXSIRK-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.99
Rot. Bonds4

About 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 155522806) has the molecular formula C13H10Cl2N6 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID155522806
Molecular FormulaC13H10Cl2N6
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESClc1cccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)c1
InChIInChI=1S/C13H10Cl2N6/c14-8-2-1-3-9(4-8)19-12-11(15)7-16-13(21-12)20-10-5-17-18-6-10/h1-7H,(H,17,18)(H2,16,19,20,21)
InChIKeyBLANMJBSRXSIRK-UHFFFAOYSA-N
XLogP3.99
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (CID 155522806) is 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is Clc1cccc(Nc2nc(Nc3cn[nH]c3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BLANMJBSRXSIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6/c14-8-2-1-3-9(4-8)19-12-11(15)7-16-13(21-12)20-10-5-17-18-6-10/h1-7H,(H,17,18)(H2,16,19,20,21).
What are the key properties of 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 321.17 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155522806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).