2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine

C13H17ClN6 — CID 141302825

IUPAC2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine
SMILESCCC1CN(C)c2cnc(Cl)nc2N1c1cnn(C)c1
InChIInChI=1S/C13H17ClN6/c1-4-9-7-18(2)11-6-15-13(14)17-12(11)20(9)10-5-16-19(3)8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyDQXPSEIEAXBCIL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.23
Rot. Bonds2

About 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine

2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine (PubChem CID 141302825) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine.

Molecular Properties

Compound Name2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine
PubChem CID141302825
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine
SMILESCCC1CN(C)c2cnc(Cl)nc2N1c1cnn(C)c1
InChIInChI=1S/C13H17ClN6/c1-4-9-7-18(2)11-6-15-13(14)17-12(11)20(9)10-5-16-19(3)8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyDQXPSEIEAXBCIL-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine?
The IUPAC name of 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine (CID 141302825) is 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine.
What is the SMILES notation for 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine?
The canonical SMILES for 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine is CCC1CN(C)c2cnc(Cl)nc2N1c1cnn(C)c1.
What is the InChIKey of 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine?
The InChIKey is DQXPSEIEAXBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-4-9-7-18(2)11-6-15-13(14)17-12(11)20(9)10-5-16-19(3)8-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine?
2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine has a molecular weight of 292.77 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine is sourced from PubChem (CID 141302825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).