tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate

C20H28N6O3 — CID 153347673

IUPACtert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate
SMILESCOc1ncc(-c2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)cn2)cn1
InChIInChI=1S/C20H28N6O3/c1-20(2,3)29-19(27)26-15-7-5-14(6-8-15)25-17-12-21-16(11-22-17)13-9-23-18(28-4)24-10-13/h9-12,14-15H,5-8H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyJDEIAQKYMBCXDO-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate

tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate (PubChem CID 153347673) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate
PubChem CID153347673
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Nametert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate
SMILESCOc1ncc(-c2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)cn2)cn1
InChIInChI=1S/C20H28N6O3/c1-20(2,3)29-19(27)26-15-7-5-14(6-8-15)25-17-12-21-16(11-22-17)13-9-23-18(28-4)24-10-13/h9-12,14-15H,5-8H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyJDEIAQKYMBCXDO-UHFFFAOYSA-N
XLogP3.19
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
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tert-butyl N-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]carbamate
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tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
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tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
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tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
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tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
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methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
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tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
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tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate (CID 153347673) is tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate is COc1ncc(-c2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)cn2)cn1.
What is the InChIKey of tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate?
The InChIKey is JDEIAQKYMBCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-20(2,3)29-19(27)26-15-7-5-14(6-8-15)25-17-12-21-16(11-22-17)13-9-23-18(28-4)24-10-13/h9-12,14-15H,5-8H2,1-4H3,(H,22,25)(H,26,27).
What are the key properties of tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate?
tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 153347673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).