2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine

C13H18N2 — CID 123841896

IUPAC2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine
SMILESCC=Cc1cnc(C(C)C)nc1C=CC
InChIInChI=1S/C13H18N2/c1-5-7-11-9-14-13(10(3)4)15-12(11)8-6-2/h5-10H,1-4H3
InChIKeyBLUMNMNUYJPNMK-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.67
Rot. Bonds3

About 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine

2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine (PubChem CID 123841896) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine
PubChem CID123841896
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine
SMILESCC=Cc1cnc(C(C)C)nc1C=CC
InChIInChI=1S/C13H18N2/c1-5-7-11-9-14-13(10(3)4)15-12(11)8-6-2/h5-10H,1-4H3
InChIKeyBLUMNMNUYJPNMK-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine?
The IUPAC name of 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine (CID 123841896) is 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine.
What is the SMILES notation for 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine?
The canonical SMILES for 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine is CC=Cc1cnc(C(C)C)nc1C=CC.
What is the InChIKey of 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine?
The InChIKey is BLUMNMNUYJPNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-7-11-9-14-13(10(3)4)15-12(11)8-6-2/h5-10H,1-4H3.
What are the key properties of 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine?
2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine has a molecular weight of 202.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5-bis(prop-1-enyl)pyrimidine is sourced from PubChem (CID 123841896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).