2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

C11H16N6 — CID 80809040

IUPAC2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCn2cccn2)n1
InChIInChI=1S/C11H16N6/c1-2-12-11-14-6-4-10(16-11)13-7-9-17-8-3-5-15-17/h3-6,8H,2,7,9H2,1H3,(H2,12,13,14,16)
InChIKeyFWWPXFUNYIQPIM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.22
Rot. Bonds6

About 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80809040) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID80809040
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCn2cccn2)n1
InChIInChI=1S/C11H16N6/c1-2-12-11-14-6-4-10(16-11)13-7-9-17-8-3-5-15-17/h3-6,8H,2,7,9H2,1H3,(H2,12,13,14,16)
InChIKeyFWWPXFUNYIQPIM-UHFFFAOYSA-N
XLogP1.22
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553542
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 114139889

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (CID 80809040) is 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is CCNc1nccc(NCCn2cccn2)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is FWWPXFUNYIQPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-12-11-14-6-4-10(16-11)13-7-9-17-8-3-5-15-17/h3-6,8H,2,7,9H2,1H3,(H2,12,13,14,16).
What are the key properties of 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80809040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).