2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine

C15H24N2 — CID 176694158

IUPAC2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine
SMILESCc1nc(CC2CC2)nc(C(C)C)c1C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)14-11(5)16-13(8-12-6-7-12)17-15(14)10(3)4/h9-10,12H,6-8H2,1-5H3
InChIKeyNGVSJUARYFCTSR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.98
Rot. Bonds4

About 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine

2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine (PubChem CID 176694158) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine
PubChem CID176694158
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine
SMILESCc1nc(CC2CC2)nc(C(C)C)c1C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)14-11(5)16-13(8-12-6-7-12)17-15(14)10(3)4/h9-10,12H,6-8H2,1-5H3
InChIKeyNGVSJUARYFCTSR-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine (CID 176694158) is 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine is Cc1nc(CC2CC2)nc(C(C)C)c1C(C)C.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine?
The InChIKey is NGVSJUARYFCTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-9(2)14-11(5)16-13(8-12-6-7-12)17-15(14)10(3)4/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine?
2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine has a molecular weight of 232.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-5,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 176694158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).