4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine

C20H30N6 — CID 127303052

IUPAC4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
SMILESCCn1cc(C2CCN(c3cc(N4CCCC(C)C4)ncn3)CC2)cn1
InChIInChI=1S/C20H30N6/c1-3-26-14-18(12-23-26)17-6-9-24(10-7-17)19-11-20(22-15-21-19)25-8-4-5-16(2)13-25/h11-12,14-17H,3-10,13H2,1-2H3
InChIKeyYNOUMHWSVNRUSC-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.31
Rot. Bonds4

About 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine

4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 127303052) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID127303052
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
SMILESCCn1cc(C2CCN(c3cc(N4CCCC(C)C4)ncn3)CC2)cn1
InChIInChI=1S/C20H30N6/c1-3-26-14-18(12-23-26)17-6-9-24(10-7-17)19-11-20(22-15-21-19)25-8-4-5-16(2)13-25/h11-12,14-17H,3-10,13H2,1-2H3
InChIKeyYNOUMHWSVNRUSC-UHFFFAOYSA-N
XLogP3.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine (CID 127303052) is 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine is CCn1cc(C2CCN(c3cc(N4CCCC(C)C4)ncn3)CC2)cn1.
What is the InChIKey of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is YNOUMHWSVNRUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-3-26-14-18(12-23-26)17-6-9-24(10-7-17)19-11-20(22-15-21-19)25-8-4-5-16(2)13-25/h11-12,14-17H,3-10,13H2,1-2H3.
What are the key properties of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine?
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 354.50 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 127303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).