tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate

C15H23N3O2 — CID 10356160

IUPACtert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate
SMILESC[C@H](C/C=C/c1cncnc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-12(18(5)14(19)20-15(2,3)4)7-6-8-13-9-16-11-17-10-13/h6,8-12H,7H2,1-5H3/b8-6+/t12-/m1/s1
InChIKeyBKNPWXXHKGCKPF-WAFBPQNNSA-N
MW277.37 g/mol
LogP3.14
Rot. Bonds4

About tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate

tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate (PubChem CID 10356160) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate
PubChem CID10356160
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate
SMILESC[C@H](C/C=C/c1cncnc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-12(18(5)14(19)20-15(2,3)4)7-6-8-13-9-16-11-17-10-13/h6,8-12H,7H2,1-5H3/b8-6+/t12-/m1/s1
InChIKeyBKNPWXXHKGCKPF-WAFBPQNNSA-N
XLogP3.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170500319
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CID 168453118
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CID 10084894
CID 10084894
CID 18327971
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CID 18384957
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CID 18689783
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CID 18689784
CID 18689784

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate (CID 10356160) is tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate is C[C@H](C/C=C/c1cncnc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate?
The InChIKey is BKNPWXXHKGCKPF-WAFBPQNNSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(18(5)14(19)20-15(2,3)4)7-6-8-13-9-16-11-17-10-13/h6,8-12H,7H2,1-5H3/b8-6+/t12-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate?
tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(E,2R)-5-pyrimidin-5-ylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 10356160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).