N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine

C15H13Cl2N5 — CID 66503169

IUPACN-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H13Cl2N5/c1-9-11(8-22(2)21-9)14-5-6-18-15(20-14)19-10-3-4-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19,20)
InChIKeyMVNNFOGLLJNGLG-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.24
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine

N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 66503169) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID66503169
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC NameN-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H13Cl2N5/c1-9-11(8-22(2)21-9)14-5-6-18-15(20-14)19-10-3-4-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19,20)
InChIKeyMVNNFOGLLJNGLG-UHFFFAOYSA-N
XLogP4.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine (CID 66503169) is N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is MVNNFOGLLJNGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-9-11(8-22(2)21-9)14-5-6-18-15(20-14)19-10-3-4-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 334.21 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 66503169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).