N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide

C19H28N4O — CID 122322210

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H28N4O/c1-12-4-17(23(2)3)22-16(21-12)11-20-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-15H,5-11H2,1-3H3,(H,20,24)
InChIKeyMYGJZDJPKJHDCF-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.68
Rot. Bonds4

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 122322210) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide
PubChem CID122322210
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H28N4O/c1-12-4-17(23(2)3)22-16(21-12)11-20-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-15H,5-11H2,1-3H3,(H,20,24)
InChIKeyMYGJZDJPKJHDCF-UHFFFAOYSA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide (CID 122322210) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide is Cc1cc(N(C)C)nc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is MYGJZDJPKJHDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-12-4-17(23(2)3)22-16(21-12)11-20-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-15H,5-11H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 122322210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).