4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine

C15H23N3O — CID 110271060

IUPAC4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
SMILESCc1cc(C)nc(C2CCN(C3CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-11-9-12(2)17-15(16-11)13-3-6-18(10-13)14-4-7-19-8-5-14/h9,13-14H,3-8,10H2,1-2H3
InChIKeyXNJSSLPUZHOOMS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds2

About 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine

4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine (PubChem CID 110271060) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
PubChem CID110271060
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
SMILESCc1cc(C)nc(C2CCN(C3CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-11-9-12(2)17-15(16-11)13-3-6-18(10-13)14-4-7-19-8-5-14/h9,13-14H,3-8,10H2,1-2H3
InChIKeyXNJSSLPUZHOOMS-UHFFFAOYSA-N
XLogP2.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine (CID 110271060) is 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine is Cc1cc(C)nc(C2CCN(C3CCOCC3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
The InChIKey is XNJSSLPUZHOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-12(2)17-15(16-11)13-3-6-18(10-13)14-4-7-19-8-5-14/h9,13-14H,3-8,10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 110271060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).