4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine

C16H21N3O — CID 133332577

IUPAC4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(C)CC2c2ccc(C)o2)ncn1
InChIInChI=1S/C16H21N3O/c1-11-6-7-19(16-9-12(2)17-10-18-16)14(8-11)15-5-4-13(3)20-15/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyMATJWFJMFCNBAI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.66
Rot. Bonds2

About 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine

4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 133332577) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
PubChem CID133332577
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(C)CC2c2ccc(C)o2)ncn1
InChIInChI=1S/C16H21N3O/c1-11-6-7-19(16-9-12(2)17-10-18-16)14(8-11)15-5-4-13(3)20-15/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyMATJWFJMFCNBAI-UHFFFAOYSA-N
XLogP3.66
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine (CID 133332577) is 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine is Cc1cc(N2CCC(C)CC2c2ccc(C)o2)ncn1.
What is the InChIKey of 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is MATJWFJMFCNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-7-19(16-9-12(2)17-10-18-16)14(8-11)15-5-4-13(3)20-15/h4-5,9-11,14H,6-8H2,1-3H3.
What are the key properties of 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine?
4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 271.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133332577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).