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

C13H20N6 — CID 106041480

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2cnn(C)c2C)n1
InChIInChI=1S/C13H20N6/c1-5-11-17-12(14)8(2)13(18-11)15-6-10-7-16-19(4)9(10)3/h7H,5-6H2,1-4H3,(H3,14,15,17,18)
InChIKeyXZBRZDQPRLTSOH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.58
Rot. Bonds4

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

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 106041480) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID106041480
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2cnn(C)c2C)n1
InChIInChI=1S/C13H20N6/c1-5-11-17-12(14)8(2)13(18-11)15-6-10-7-16-19(4)9(10)3/h7H,5-6H2,1-4H3,(H3,14,15,17,18)
InChIKeyXZBRZDQPRLTSOH-UHFFFAOYSA-N
XLogP1.58
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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,2,5-trimethylpyrimidine-4,6-diamine
CID 106041223
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
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
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 106304545
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
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
2-ethyl-5-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80985493

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 106041480) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCc2cnn(C)c2C)n1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is XZBRZDQPRLTSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-5-11-17-12(14)8(2)13(18-11)15-6-10-7-16-19(4)9(10)3/h7H,5-6H2,1-4H3,(H3,14,15,17,18).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.58, 4 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-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).