N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide

C20H28N4O2 — CID 122318757

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N4O2/c25-19(20-10-14-7-15(11-20)9-16(8-14)12-20)22-13-17-21-2-1-18(23-17)24-3-5-26-6-4-24/h1-2,14-16H,3-13H2,(H,22,25)
InChIKeyFVHABACSINZNFE-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.15
Rot. Bonds4

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide (PubChem CID 122318757) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
PubChem CID122318757
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N4O2/c25-19(20-10-14-7-15(11-20)9-16(8-14)12-20)22-13-17-21-2-1-18(23-17)24-3-5-26-6-4-24/h1-2,14-16H,3-13H2,(H,22,25)
InChIKeyFVHABACSINZNFE-UHFFFAOYSA-N
XLogP2.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18133630
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
CID 122353091
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 122318847
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122318739
1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966791

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide (CID 122318757) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide is O=C(NCc1nccc(N2CCOCC2)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide?
The InChIKey is FVHABACSINZNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(20-10-14-7-15(11-20)9-16(8-14)12-20)22-13-17-21-2-1-18(23-17)24-3-5-26-6-4-24/h1-2,14-16H,3-13H2,(H,22,25).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 122318757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).