tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate

C15H24N4O2 — CID 18384957

IUPACtert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate
SMILESCC(C/C=C/c1cnc(N)nc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-11(19(5)14(20)21-15(2,3)4)7-6-8-12-9-17-13(16)18-10-12/h6,8-11H,7H2,1-5H3,(H2,16,17,18)/b8-6+
InChIKeyQPHRHTRLGRZJQC-SOFGYWHQSA-N
MW292.38 g/mol
LogP2.72
Rot. Bonds4

About tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate

tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate (PubChem CID 18384957) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate
PubChem CID18384957
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate
SMILESCC(C/C=C/c1cnc(N)nc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-11(19(5)14(20)21-15(2,3)4)7-6-8-12-9-17-13(16)18-10-12/h6,8-11H,7H2,1-5H3,(H2,16,17,18)/b8-6+
InChIKeyQPHRHTRLGRZJQC-SOFGYWHQSA-N
XLogP2.72
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 166458340
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CID 169468191
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CID 170489876
CID 170489876
CID 170490798
CID 170490798
CID 170491154
CID 170491154
CID 10084894
CID 10084894
CID 10313488
CID 10313488
CID 10356160
CID 10356160
CID 18689783
CID 18689783
CID 18689784
CID 18689784

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate (CID 18384957) is tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate is CC(C/C=C/c1cnc(N)nc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate?
The InChIKey is QPHRHTRLGRZJQC-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(19(5)14(20)21-15(2,3)4)7-6-8-12-9-17-13(16)18-10-12/h6,8-11H,7H2,1-5H3,(H2,16,17,18)/b8-6+.
What are the key properties of tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate?
tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate has a molecular weight of 292.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]-N-methylcarbamate is sourced from PubChem (CID 18384957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).