4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine

C11H16N6 — CID 102807839

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cn(C)nc2C)n1
InChIInChI=1S/C11H16N6/c1-7-5-13-11(12-3)15-10(7)14-9-6-17(4)16-8(9)2/h5-6H,1-4H3,(H2,12,13,14,15)
InChIKeyPJDZOMMQUNMWST-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.61
Rot. Bonds3

About 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 102807839) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID102807839
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cn(C)nc2C)n1
InChIInChI=1S/C11H16N6/c1-7-5-13-11(12-3)15-10(7)14-9-6-17(4)16-8(9)2/h5-6H,1-4H3,(H2,12,13,14,15)
InChIKeyPJDZOMMQUNMWST-UHFFFAOYSA-N
XLogP1.61
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine
CID 102806058
N-(1,3-dimethylpyrazol-4-yl)-5-methoxypyrimidin-2-amine
CID 102806174
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
CID 102806061
8-N-(1,3-dimethylpyrazol-4-yl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 102807864
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
CID 102803615
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 102807808

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 102807839) is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2cn(C)nc2C)n1.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is PJDZOMMQUNMWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-5-13-11(12-3)15-10(7)14-9-6-17(4)16-8(9)2/h5-6H,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 102807839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).