3,4,4,6-tetramethyl-1,2-dihydropyrimidine

C8H16N2 — CID 70579837

IUPAC3,4,4,6-tetramethyl-1,2-dihydropyrimidine
SMILESCC1=CC(C)(C)N(C)CN1
InChIInChI=1S/C8H16N2/c1-7-5-8(2,3)10(4)6-9-7/h5,9H,6H2,1-4H3
InChIKeyCXCNEJNXDNIHIW-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.16
Rot. Bonds

About 3,4,4,6-tetramethyl-1,2-dihydropyrimidine

3,4,4,6-tetramethyl-1,2-dihydropyrimidine (PubChem CID 70579837) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,4,4,6-tetramethyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name3,4,4,6-tetramethyl-1,2-dihydropyrimidine
PubChem CID70579837
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,4,4,6-tetramethyl-1,2-dihydropyrimidine
SMILESCC1=CC(C)(C)N(C)CN1
InChIInChI=1S/C8H16N2/c1-7-5-8(2,3)10(4)6-9-7/h5,9H,6H2,1-4H3
InChIKeyCXCNEJNXDNIHIW-UHFFFAOYSA-N
XLogP1.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
The IUPAC name of 3,4,4,6-tetramethyl-1,2-dihydropyrimidine (CID 70579837) is 3,4,4,6-tetramethyl-1,2-dihydropyrimidine.
What is the SMILES notation for 3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
The canonical SMILES for 3,4,4,6-tetramethyl-1,2-dihydropyrimidine is CC1=CC(C)(C)N(C)CN1.
What is the InChIKey of 3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
The InChIKey is CXCNEJNXDNIHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-5-8(2,3)10(4)6-9-7/h5,9H,6H2,1-4H3.
What are the key properties of 3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
3,4,4,6-tetramethyl-1,2-dihydropyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,6-tetramethyl-1,2-dihydropyrimidine is sourced from PubChem (CID 70579837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).