2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine

C11H18N2 — CID 90865640

IUPAC2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
SMILESC=C(CC)C1=NCC=C(C(C)C)N1
InChIInChI=1S/C11H18N2/c1-5-9(4)11-12-7-6-10(13-11)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyMAVDPLBNQOSUDL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds3

About 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine

2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine (PubChem CID 90865640) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
PubChem CID90865640
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
SMILESC=C(CC)C1=NCC=C(C(C)C)N1
InChIInChI=1S/C11H18N2/c1-5-9(4)11-12-7-6-10(13-11)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyMAVDPLBNQOSUDL-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
6-Tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 91449481
4-methyl-3,5-dimethylidene-N-(4-methylpent-2-en-3-yl)-2,4-dihydropyrimidin-3-ium-6-amine
CID 123921130
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
CID 129173047
(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
CID 129208626
(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
CID 132170865
2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine
CID 137053045
N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine
CID 137247912
(3Z)-N-ethenyl-5-propan-2-yl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 137255175

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine (CID 90865640) is 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine is C=C(CC)C1=NCC=C(C(C)C)N1.
What is the InChIKey of 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine?
The InChIKey is MAVDPLBNQOSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9(4)11-12-7-6-10(13-11)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine?
2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 90865640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).