5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C18H21ClN6O — CID 71240933

IUPAC5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCn1cc(Nc2ncc(Cl)c(NC(C)c3ccccc3OC)n2)cn1
InChIInChI=1S/C18H21ClN6O/c1-4-25-11-13(9-21-25)23-18-20-10-15(19)17(24-18)22-12(2)14-7-5-6-8-16(14)26-3/h5-12H,4H2,1-3H3,(H2,20,22,23,24)
InChIKeySRMGYAURMPXHSG-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.27
Rot. Bonds7

About 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 71240933) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID71240933
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCn1cc(Nc2ncc(Cl)c(NC(C)c3ccccc3OC)n2)cn1
InChIInChI=1S/C18H21ClN6O/c1-4-25-11-13(9-21-25)23-18-20-10-15(19)17(24-18)22-12(2)14-7-5-6-8-16(14)26-3/h5-12H,4H2,1-3H3,(H2,20,22,23,24)
InChIKeySRMGYAURMPXHSG-UHFFFAOYSA-N
XLogP4.27
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 71240933) is 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is CCn1cc(Nc2ncc(Cl)c(NC(C)c3ccccc3OC)n2)cn1.
What is the InChIKey of 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SRMGYAURMPXHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-4-25-11-13(9-21-25)23-18-20-10-15(19)17(24-18)22-12(2)14-7-5-6-8-16(14)26-3/h5-12H,4H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 372.86 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(1-ethylpyrazol-4-yl)-4-N-[1-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71240933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).