4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine

C11H16N6 — CID 80848172

IUPAC4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nn(C)c(C)c1CNc1cc(N)ncn1
InChIInChI=1S/C11H16N6/c1-7-9(8(2)17(3)16-7)5-13-11-4-10(12)14-6-15-11/h4,6H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyLMUPTUQKUQPWJR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.02
Rot. Bonds3

About 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine

4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80848172) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80848172
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nn(C)c(C)c1CNc1cc(N)ncn1
InChIInChI=1S/C11H16N6/c1-7-9(8(2)17(3)16-7)5-13-11-4-10(12)14-6-15-11/h4,6H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyLMUPTUQKUQPWJR-UHFFFAOYSA-N
XLogP1.02
TPSA81.65 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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 78990644
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886
6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79224387
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine
CID 133299000
6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 110431581
4-bromo-2,6-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 54863746
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959085
5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976291
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80848172) is 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is Cc1nn(C)c(C)c1CNc1cc(N)ncn1.
What is the InChIKey of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is LMUPTUQKUQPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-9(8(2)17(3)16-7)5-13-11-4-10(12)14-6-15-11/h4,6H,5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80848172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).