4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine

C20H26N4 — CID 133315928

IUPAC4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
SMILESCC1CC(c2ccccc2)CN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C20H26N4/c1-16-12-18(17-8-4-2-5-9-17)14-24(16)20-13-19(21-15-22-20)23-10-6-3-7-11-23/h2,4-5,8-9,13,15-16,18H,3,6-7,10-12,14H2,1H3
InChIKeyBYLRBNOYJOYPKG-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.85
Rot. Bonds3

About 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine

4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine (PubChem CID 133315928) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
PubChem CID133315928
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
SMILESCC1CC(c2ccccc2)CN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C20H26N4/c1-16-12-18(17-8-4-2-5-9-17)14-24(16)20-13-19(21-15-22-20)23-10-6-3-7-11-23/h2,4-5,8-9,13,15-16,18H,3,6-7,10-12,14H2,1H3
InChIKeyBYLRBNOYJOYPKG-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine (CID 133315928) is 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine is CC1CC(c2ccccc2)CN1c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine?
The InChIKey is BYLRBNOYJOYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-16-12-18(17-8-4-2-5-9-17)14-24(16)20-13-19(21-15-22-20)23-10-6-3-7-11-23/h2,4-5,8-9,13,15-16,18H,3,6-7,10-12,14H2,1H3.
What are the key properties of 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine?
4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine has a molecular weight of 322.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 133315928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).