tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate

C14H17N5O2 — CID 138494591

IUPACtert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
SMILESCc1nc(-c2cncnc2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H17N5O2/c1-9-12(19-13(20)21-14(2,3)4)17-7-11(18-9)10-5-15-8-16-6-10/h5-8H,1-4H3,(H,17,19,20)
InChIKeyPNGHNTSOQPFTJC-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate

tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate (PubChem CID 138494591) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
PubChem CID138494591
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Nametert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
SMILESCc1nc(-c2cncnc2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H17N5O2/c1-9-12(19-13(20)21-14(2,3)4)17-7-11(18-9)10-5-15-8-16-6-10/h5-8H,1-4H3,(H,17,19,20)
InChIKeyPNGHNTSOQPFTJC-UHFFFAOYSA-N
XLogP2.59
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(4-methyl-2-pyrimidin-5-ylpyrimidin-5-yl)carbamate;4-methyl-2-pyrimidin-5-ylpyrimidin-5-amine
CID 157145685
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
CID 141329462
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
tert-butyl N-[2-pyrimidin-5-yl-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 138502896
tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
CID 130471260
[5-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 123134912
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
CID 122456834
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
[5-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 86767368

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate (CID 138494591) is tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate is Cc1nc(-c2cncnc2)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate?
The InChIKey is PNGHNTSOQPFTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-12(19-13(20)21-14(2,3)4)17-7-11(18-9)10-5-15-8-16-6-10/h5-8H,1-4H3,(H,17,19,20).
What are the key properties of tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate?
tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate is sourced from PubChem (CID 138494591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).