2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine

C20H30N6 — CID 45232120

IUPAC2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2ccnc(N3CC(N4CCCCC4C)C3)n2)c(C)n1
InChIInChI=1S/C20H30N6/c1-4-10-25-14-18(16(3)23-25)19-8-9-21-20(22-19)24-12-17(13-24)26-11-6-5-7-15(26)2/h8-9,14-15,17H,4-7,10-13H2,1-3H3
InChIKeyIKQCRRBBJMHIGQ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.12
Rot. Bonds5

About 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine

2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine (PubChem CID 45232120) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine
PubChem CID45232120
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2ccnc(N3CC(N4CCCCC4C)C3)n2)c(C)n1
InChIInChI=1S/C20H30N6/c1-4-10-25-14-18(16(3)23-25)19-8-9-21-20(22-19)24-12-17(13-24)26-11-6-5-7-15(26)2/h8-9,14-15,17H,4-7,10-13H2,1-3H3
InChIKeyIKQCRRBBJMHIGQ-UHFFFAOYSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine (CID 45232120) is 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2ccnc(N3CC(N4CCCCC4C)C3)n2)c(C)n1.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is IKQCRRBBJMHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-4-10-25-14-18(16(3)23-25)19-8-9-21-20(22-19)24-12-17(13-24)26-11-6-5-7-15(26)2/h8-9,14-15,17H,4-7,10-13H2,1-3H3.
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine?
2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 354.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 45232120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).