4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine

C10H14N6 — CID 106035329

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1c(CNc2ncncc2N)cnn1C
InChIInChI=1S/C10H14N6/c1-7-8(4-15-16(7)2)3-13-10-9(11)5-12-6-14-10/h4-6H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyZPQGABGJRJOBLT-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.71
Rot. Bonds3

About 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 106035329) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
PubChem CID106035329
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1c(CNc2ncncc2N)cnn1C
InChIInChI=1S/C10H14N6/c1-7-8(4-15-16(7)2)3-13-10-9(11)5-12-6-14-10/h4-6H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyZPQGABGJRJOBLT-UHFFFAOYSA-N
XLogP0.71
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477
3-chloro-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 106035405
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 106041373
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041067
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 103858282
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 106041480
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 79918373
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106041223

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine (CID 106035329) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine is Cc1c(CNc2ncncc2N)cnn1C.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is ZPQGABGJRJOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7-8(4-15-16(7)2)3-13-10-9(11)5-12-6-14-10/h4-6H,3,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 106035329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).