tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C20H27N5O4 — CID 69047258

IUPACtert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1cc(-c2ccncc2N)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H27N5O4/c1-12-10-15(13-8-9-22-11-14(13)21)24-16(23-12)25(17(26)28-19(2,3)4)18(27)29-20(5,6)7/h8-11H,21H2,1-7H3
InChIKeyFZVREODABMRWID-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.11
Rot. Bonds2

About tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 69047258) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID69047258
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Nametert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1cc(-c2ccncc2N)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H27N5O4/c1-12-10-15(13-8-9-22-11-14(13)21)24-16(23-12)25(17(26)28-19(2,3)4)18(27)29-20(5,6)7/h8-11H,21H2,1-7H3
InChIKeyFZVREODABMRWID-UHFFFAOYSA-N
XLogP4.11
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 167014065
tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
CID 70663708
tert-butyl N-[4-(aminomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171568778
tert-butyl N-(4-chloropyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 75529918
tert-butyl N-(4-iodopyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 73425289
tert-butyl N-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-(2-oxoethyl)carbamate
CID 87693406
tert-butyl N-acetyl-N-pyridin-4-ylcarbamate
CID 69108647
tert-butyl N-[(3-bromo-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118318074
tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
CID 69045153
tert-butyl 11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 145446375
tert-butyl N-[5-(5-amino-6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 169228384
tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 69047258) is tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1cc(-c2ccncc2N)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is FZVREODABMRWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-12-10-15(13-8-9-22-11-14(13)21)24-16(23-12)25(17(26)28-19(2,3)4)18(27)29-20(5,6)7/h8-11H,21H2,1-7H3.
What are the key properties of tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 69047258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).