4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine

C17H28N2 — CID 163389896

IUPAC4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine
SMILESC/C=C(\c1cnc(C(C)C)nc1C(C)CC)C(C)C
InChIInChI=1S/C17H28N2/c1-8-13(7)16-15(14(9-2)11(3)4)10-18-17(19-16)12(5)6/h9-13H,8H2,1-7H3/b14-9-
InChIKeyBKCOPWYETKFWKD-ZROIWOOFSA-N
MW260.43 g/mol
LogP5.17
Rot. Bonds5

About 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine

4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine (PubChem CID 163389896) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine
PubChem CID163389896
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine
SMILESC/C=C(\c1cnc(C(C)C)nc1C(C)CC)C(C)C
InChIInChI=1S/C17H28N2/c1-8-13(7)16-15(14(9-2)11(3)4)10-18-17(19-16)12(5)6/h9-13H,8H2,1-7H3/b14-9-
InChIKeyBKCOPWYETKFWKD-ZROIWOOFSA-N
XLogP5.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine (CID 163389896) is 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine is C/C=C(\c1cnc(C(C)C)nc1C(C)CC)C(C)C.
What is the InChIKey of 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine?
The InChIKey is BKCOPWYETKFWKD-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H28N2/c1-8-13(7)16-15(14(9-2)11(3)4)10-18-17(19-16)12(5)6/h9-13H,8H2,1-7H3/b14-9-.
What are the key properties of 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine?
4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine has a molecular weight of 260.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 163389896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).