N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide

C16H19Cl2N3O — CID 118024025

IUPACN-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)n1
InChIInChI=1S/C16H19Cl2N3O/c1-8-19-13(17)12(14(18)20-8)21-15(22)16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-7H2,1H3,(H,21,22)
InChIKeyNPSCKBNRXNQNTC-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.25
Rot. Bonds2

About N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide

N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide (PubChem CID 118024025) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide
PubChem CID118024025
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)n1
InChIInChI=1S/C16H19Cl2N3O/c1-8-19-13(17)12(14(18)20-8)21-15(22)16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-7H2,1H3,(H,21,22)
InChIKeyNPSCKBNRXNQNTC-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Adamantane-1-carboxylic acid (2,4-diamino-6-methyl-pyrimidin-5-yl)-amide; ethane sulfonate
CID 44356660
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 118031083
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide
CID 118023919
N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide
CID 118031119
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-methylcyclohexane-1-carboxamide
CID 118031120
N-(4,6-dichloropyrimidin-5-yl)adamantane-1-carboxamide
CID 12341143
4-tert-butyl-N-(4,6-dichloropyrimidin-5-yl)cyclohexane-1-carboxamide
CID 108377201
N-(4,6-dichloropyrimidin-5-yl)adamantane-2-carboxamide
CID 108377286
N-(4,6-dichloropyrimidin-5-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 108377808

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide (CID 118024025) is N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide is Cc1nc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide?
The InChIKey is NPSCKBNRXNQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-8-19-13(17)12(14(18)20-8)21-15(22)16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-7H2,1H3,(H,21,22).
What are the key properties of N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide?
N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 118024025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).