4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine

C12H18N6 — CID 106041373

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCc2cnn(C)c2C)n1
InChIInChI=1S/C12H18N6/c1-7-11(13)16-9(3)17-12(7)14-5-10-6-15-18(4)8(10)2/h6H,5H2,1-4H3,(H3,13,14,16,17)
InChIKeyDTFAARJCUXYQEK-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.33
Rot. Bonds3

About 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 106041373) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID106041373
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCc2cnn(C)c2C)n1
InChIInChI=1S/C12H18N6/c1-7-11(13)16-9(3)17-12(7)14-5-10-6-15-18(4)8(10)2/h6H,5H2,1-4H3,(H3,13,14,16,17)
InChIKeyDTFAARJCUXYQEK-UHFFFAOYSA-N
XLogP1.33
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 106041480
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106041223
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 106035329
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
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
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106041359
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831875
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine (CID 106041373) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCc2cnn(C)c2C)n1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DTFAARJCUXYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-7-11(13)16-9(3)17-12(7)14-5-10-6-15-18(4)8(10)2/h6H,5H2,1-4H3,(H3,13,14,16,17).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.33, 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]-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106041373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).