4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine

C11H15ClN6 — CID 72893440

IUPAC4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCCn1cc(Cl)cn1
InChIInChI=1S/C11H15ClN6/c1-2-8-5-15-11(13)17-10(8)14-3-4-18-7-9(12)6-16-18/h5-7H,2-4H2,1H3,(H3,13,14,15,17)
InChIKeyPTFREWGGBYXOKO-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.58
Rot. Bonds5

About 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine

4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine (PubChem CID 72893440) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine
PubChem CID72893440
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCCn1cc(Cl)cn1
InChIInChI=1S/C11H15ClN6/c1-2-8-5-15-11(13)17-10(8)14-3-4-18-7-9(12)6-16-18/h5-7H,2-4H2,1H3,(H3,13,14,15,17)
InChIKeyPTFREWGGBYXOKO-UHFFFAOYSA-N
XLogP1.58
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine (CID 72893440) is 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine is CCc1cnc(N)nc1NCCn1cc(Cl)cn1.
What is the InChIKey of 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine?
The InChIKey is PTFREWGGBYXOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-2-8-5-15-11(13)17-10(8)14-3-4-18-7-9(12)6-16-18/h5-7H,2-4H2,1H3,(H3,13,14,15,17).
What are the key properties of 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine?
4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine has a molecular weight of 266.74 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72893440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).