2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine

C16H24N2 — CID 139438988

IUPAC2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine
SMILESC=C/C(=C\C(=C)C)N1C(C)=CCN=C1[C@H](C)CC
InChIInChI=1S/C16H24N2/c1-7-13(5)16-17-10-9-14(6)18(16)15(8-2)11-12(3)4/h8-9,11,13H,2-3,7,10H2,1,4-6H3/b15-11+/t13-/m1/s1
InChIKeyATAISNYLACBCDG-WDGDVPDHSA-N
MW244.38 g/mol
LogP4.30
Rot. Bonds5

About 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine

2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine (PubChem CID 139438988) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine
PubChem CID139438988
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine
SMILESC=C/C(=C\C(=C)C)N1C(C)=CCN=C1[C@H](C)CC
InChIInChI=1S/C16H24N2/c1-7-13(5)16-17-10-9-14(6)18(16)15(8-2)11-12(3)4/h8-9,11,13H,2-3,7,10H2,1,4-6H3/b15-11+/t13-/m1/s1
InChIKeyATAISNYLACBCDG-WDGDVPDHSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
N-[(3E)-6-fluoro-3,4-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N',2-dimethyl-N-propylbutanimidamide
CID 130439459
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
N,N-diethyl-3,4-dimethyl-3H-azepin-2-amine
CID 85790493
N'-[(3Z,6Z)-7-fluoro-5-methylidene-6-(2-methylprop-1-enyl)nona-1,3,6,8-tetraen-2-yl]-N,3-dimethyl-N-propan-2-ylpent-4-enimidamide
CID 178752590
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
(Z)-N-[3-(2,4-ditert-butyl-1,3-diazet-1-ium-1-yl)-6-methylcyclohexa-1,3-dien-1-yl]but-2-en-1-imine
CID 123555049
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
CID 134387420
3,6-bis[(1Z)-buta-1,3-dienyl]-N,1,4,5-tetrakis(ethenyl)pyridin-2-imine
CID 134420160
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine?
The IUPAC name of 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine (CID 139438988) is 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine?
The canonical SMILES for 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine is C=C/C(=C\C(=C)C)N1C(C)=CCN=C1[C@H](C)CC.
What is the InChIKey of 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine?
The InChIKey is ATAISNYLACBCDG-WDGDVPDHSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-13(5)16-17-10-9-14(6)18(16)15(8-2)11-12(3)4/h8-9,11,13H,2-3,7,10H2,1,4-6H3/b15-11+/t13-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine?
2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine has a molecular weight of 244.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-6-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4H-pyrimidine is sourced from PubChem (CID 139438988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).