5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine

C17H29N3 — CID 59474375

IUPAC5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
SMILESCC(C)Cc1cnc(N2CCC(CC(C)C)CC2)nc1
InChIInChI=1S/C17H29N3/c1-13(2)9-15-5-7-20(8-6-15)17-18-11-16(12-19-17)10-14(3)4/h11-15H,5-10H2,1-4H3
InChIKeyZOBNHCMMCDNHHP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds5

About 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine

5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine (PubChem CID 59474375) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
PubChem CID59474375
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
SMILESCC(C)Cc1cnc(N2CCC(CC(C)C)CC2)nc1
InChIInChI=1S/C17H29N3/c1-13(2)9-15-5-7-20(8-6-15)17-18-11-16(12-19-17)10-14(3)4/h11-15H,5-10H2,1-4H3
InChIKeyZOBNHCMMCDNHHP-UHFFFAOYSA-N
XLogP3.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine (CID 59474375) is 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine is CC(C)Cc1cnc(N2CCC(CC(C)C)CC2)nc1.
What is the InChIKey of 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine?
The InChIKey is ZOBNHCMMCDNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)9-15-5-7-20(8-6-15)17-18-11-16(12-19-17)10-14(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine?
5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine has a molecular weight of 275.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 59474375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).