N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide

C20H29N3O — CID 23879297

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)n1
InChIInChI=1S/C20H29N3O/c1-13-6-14(2)22-16(21-13)23-15(24)20-10-17(3)7-18(4,11-20)9-19(5,8-17)12-20/h6H,7-12H2,1-5H3,(H,21,22,23,24)
InChIKeyBKWQOMGYMXSWCF-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.42
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 23879297) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide
PubChem CID23879297
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)n1
InChIInChI=1S/C20H29N3O/c1-13-6-14(2)22-16(21-13)23-15(24)20-10-17(3)7-18(4,11-20)9-19(5,8-17)12-20/h6H,7-12H2,1-5H3,(H,21,22,23,24)
InChIKeyBKWQOMGYMXSWCF-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide (CID 23879297) is N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide is Cc1cc(C)nc(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is BKWQOMGYMXSWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-13-6-14(2)22-16(21-13)23-15(24)20-10-17(3)7-18(4,11-20)9-19(5,8-17)12-20/h6H,7-12H2,1-5H3,(H,21,22,23,24).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 23879297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).