2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine

C9H18N2 — CID 14457264

IUPAC2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1CC(C)C
InChIInChI=1S/C9H18N2/c1-8(2)7-11-6-4-5-10-9(11)3/h8H,4-7H2,1-3H3
InChIKeyVKXFPHGETGJCJL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.77
Rot. Bonds2

About 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine

2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 14457264) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
PubChem CID14457264
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1CC(C)C
InChIInChI=1S/C9H18N2/c1-8(2)7-11-6-4-5-10-9(11)3/h8H,4-7H2,1-3H3
InChIKeyVKXFPHGETGJCJL-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine (CID 14457264) is 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine is CC1=NCCCN1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is VKXFPHGETGJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)7-11-6-4-5-10-9(11)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 154.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 14457264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).