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

C12H18N6 — CID 114139889

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C12H18N6/c1-4-13-12-14-6-5-11(17-12)15-7-10-8-16-18(3)9(10)2/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,17)
InChIKeyGWRGMWZGAKODER-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.56
Rot. Bonds5

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

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 114139889) 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-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID114139889
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C12H18N6/c1-4-13-12-14-6-5-11(17-12)15-7-10-8-16-18(3)9(10)2/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,17)
InChIKeyGWRGMWZGAKODER-UHFFFAOYSA-N
XLogP1.56
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
CID 113340081
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114185472

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine (CID 114139889) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(NCc2cnn(C)c2C)n1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is GWRGMWZGAKODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-13-12-14-6-5-11(17-12)15-7-10-8-16-18(3)9(10)2/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.56, 5 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-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 114139889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).