2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine

C8H16N2 — CID 12860757

IUPAC2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)10-6-4-5-9-8(10)3/h7H,4-6H2,1-3H3
InChIKeyLJOIJIAJSKVDSN-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds1

About 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine

2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 12860757) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID12860757
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)10-6-4-5-9-8(10)3/h7H,4-6H2,1-3H3
InChIKeyLJOIJIAJSKVDSN-UHFFFAOYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine (CID 12860757) is 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine is CC1=NCCCN1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is LJOIJIAJSKVDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)10-6-4-5-9-8(10)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 12860757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).