4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine

C11H18N2 — CID 174266206

IUPAC4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine
SMILESCCc1ncncc1C[C@H](C)CC
InChIInChI=1S/C11H18N2/c1-4-9(3)6-10-7-12-8-13-11(10)5-2/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyKQINLFGIUFSFJO-SECBINFHSA-N
MW178.28 g/mol
LogP2.63
Rot. Bonds4

About 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine

4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine (PubChem CID 174266206) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine
PubChem CID174266206
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine
SMILESCCc1ncncc1C[C@H](C)CC
InChIInChI=1S/C11H18N2/c1-4-9(3)6-10-7-12-8-13-11(10)5-2/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyKQINLFGIUFSFJO-SECBINFHSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine?
The IUPAC name of 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine (CID 174266206) is 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine?
The canonical SMILES for 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine is CCc1ncncc1C[C@H](C)CC.
What is the InChIKey of 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine?
The InChIKey is KQINLFGIUFSFJO-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9(3)6-10-7-12-8-13-11(10)5-2/h7-9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine?
4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine is sourced from PubChem (CID 174266206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).