6-methyl-2-propan-2-yl-1,2-dihydropyrimidine

C8H14N2 — CID 23323206

IUPAC6-methyl-2-propan-2-yl-1,2-dihydropyrimidine
SMILESCC1=CC=NC(C(C)C)N1
InChIInChI=1S/C8H14N2/c1-6(2)8-9-5-4-7(3)10-8/h4-6,8,10H,1-3H3
InChIKeyIMBSGEWHDBUONP-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.55
Rot. Bonds1

About 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine

6-methyl-2-propan-2-yl-1,2-dihydropyrimidine (PubChem CID 23323206) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1,2-dihydropyrimidine
PubChem CID23323206
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name6-methyl-2-propan-2-yl-1,2-dihydropyrimidine
SMILESCC1=CC=NC(C(C)C)N1
InChIInChI=1S/C8H14N2/c1-6(2)8-9-5-4-7(3)10-8/h4-6,8,10H,1-3H3
InChIKeyIMBSGEWHDBUONP-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine?
The IUPAC name of 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine (CID 23323206) is 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine?
The canonical SMILES for 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine is CC1=CC=NC(C(C)C)N1.
What is the InChIKey of 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine?
The InChIKey is IMBSGEWHDBUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8-9-5-4-7(3)10-8/h4-6,8,10H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine?
6-methyl-2-propan-2-yl-1,2-dihydropyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1,2-dihydropyrimidine is sourced from PubChem (CID 23323206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).