5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine

C10H16N2 — CID 142076458

IUPAC5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine
SMILESC=CC1=C(C(C)(C)C)CN=CN1
InChIInChI=1S/C10H16N2/c1-5-9-8(10(2,3)4)6-11-7-12-9/h5,7H,1,6H2,2-4H3,(H,11,12)
InChIKeyUMYYHEMPTWLHIK-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.10
Rot. Bonds1

About 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine

5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine (PubChem CID 142076458) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine
PubChem CID142076458
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine
SMILESC=CC1=C(C(C)(C)C)CN=CN1
InChIInChI=1S/C10H16N2/c1-5-9-8(10(2,3)4)6-11-7-12-9/h5,7H,1,6H2,2-4H3,(H,11,12)
InChIKeyUMYYHEMPTWLHIK-UHFFFAOYSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139
(6E)-6-hexan-2-ylidene-1H-pyrimidine
CID 130242037
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
Ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine
CID 143303386
N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide
CID 144628429
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
CID 164543135
5,6-bis(ethenyl)-4,4-dimethyl-1H-pyrimidine
CID 166537606
5-Tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine
CID 169298204
5,6-Ditert-butyl-1,4-dihydropyrimidine
CID 169298264

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine?
The IUPAC name of 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine (CID 142076458) is 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine is C=CC1=C(C(C)(C)C)CN=CN1.
What is the InChIKey of 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine?
The InChIKey is UMYYHEMPTWLHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9-8(10(2,3)4)6-11-7-12-9/h5,7H,1,6H2,2-4H3,(H,11,12).
What are the key properties of 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine?
5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-ethenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 142076458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).