N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide

C26H36N8O4 — CID 71037519

IUPACN-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(N2C3CCC3(O)N(c3ncc(C(=O)NC(C)(C)C)cn3)C3CCC32O)nc1
InChIInChI=1S/C26H36N8O4/c1-23(2,3)31-19(35)15-11-27-21(28-12-15)33-17-7-10-26(17,38)34(18-8-9-25(18,33)37)22-29-13-16(14-30-22)20(36)32-24(4,5)6/h11-14,17-18,37-38H,7-10H2,1-6H3,(H,31,35)(H,32,36)
InChIKeyLIOTZNMZRGQQFS-UHFFFAOYSA-N
MW524.63 g/mol
LogP1.35
Rot. Bonds4

About N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide

N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide (PubChem CID 71037519) has the molecular formula C26H36N8O4 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide
PubChem CID71037519
Molecular FormulaC26H36N8O4
Molecular Weight524.63 g/mol
Exact Mass524.29
IUPAC NameN-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(N2C3CCC3(O)N(c3ncc(C(=O)NC(C)(C)C)cn3)C3CCC32O)nc1
InChIInChI=1S/C26H36N8O4/c1-23(2,3)31-19(35)15-11-27-21(28-12-15)33-17-7-10-26(17,38)34(18-8-9-25(18,33)37)22-29-13-16(14-30-22)20(36)32-24(4,5)6/h11-14,17-18,37-38H,7-10H2,1-6H3,(H,31,35)(H,32,36)
InChIKeyLIOTZNMZRGQQFS-UHFFFAOYSA-N
XLogP1.35
TPSA156.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

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CID 109261642
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CID 109262837
N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide
CID 161446717
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109262038
N-tert-butyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220665
N-(2-cyclopropylpropan-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 114112366
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide
CID 101053138
5,6-dibromo-N-tert-butylpyridine-3-carboxamide
CID 130604799
N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 146603416
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide (CID 71037519) is N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(N2C3CCC3(O)N(c3ncc(C(=O)NC(C)(C)C)cn3)C3CCC32O)nc1.
What is the InChIKey of N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is LIOTZNMZRGQQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O4/c1-23(2,3)31-19(35)15-11-27-21(28-12-15)33-17-7-10-26(17,38)34(18-8-9-25(18,33)37)22-29-13-16(14-30-22)20(36)32-24(4,5)6/h11-14,17-18,37-38H,7-10H2,1-6H3,(H,31,35)(H,32,36).
What are the key properties of N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide?
N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[7-[5-(tert-butylcarbamoyl)pyrimidin-2-yl]-1,6-dihydroxy-2,7-diazatricyclo[6.2.0.03,6]decan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71037519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).