4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine

C17H20N6 — CID 22541100

IUPAC4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
SMILESCc1cc(C)cc(Nc2ncnc(-n3nc(C)cc3C)c2N)c1
InChIInChI=1S/C17H20N6/c1-10-5-11(2)7-14(6-10)21-16-15(18)17(20-9-19-16)23-13(4)8-12(3)22-23/h5-9H,18H2,1-4H3,(H,19,20,21)
InChIKeyANCKIVPFXQSIMO-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.22
Rot. Bonds3

About 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine

4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine (PubChem CID 22541100) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
PubChem CID22541100
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
SMILESCc1cc(C)cc(Nc2ncnc(-n3nc(C)cc3C)c2N)c1
InChIInChI=1S/C17H20N6/c1-10-5-11(2)7-14(6-10)21-16-15(18)17(20-9-19-16)23-13(4)8-12(3)22-23/h5-9H,18H2,1-4H3,(H,19,20,21)
InChIKeyANCKIVPFXQSIMO-UHFFFAOYSA-N
XLogP3.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 19152787
6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135549
6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19149692
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 23477640
6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144993
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19154412
4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22540923
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149978
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine (CID 22541100) is 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine is Cc1cc(C)cc(Nc2ncnc(-n3nc(C)cc3C)c2N)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
The InChIKey is ANCKIVPFXQSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-10-5-11(2)7-14(6-10)21-16-15(18)17(20-9-19-16)23-13(4)8-12(3)22-23/h5-9H,18H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22541100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).