2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide

C20H22N4O3 — CID 91763615

IUPAC2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22N4O3/c1-14-18(24-10-5-9-21-20(24)22-14)19(25)23-16-13-26-11-8-17(16)27-12-15-6-3-2-4-7-15/h2-7,9-10,16-17H,8,11-13H2,1H3,(H,23,25)/t16-,17+/m1/s1
InChIKeyHNNQCUNFNCJWCK-SJORKVTESA-N
MW366.42 g/mol
LogP2.14
Rot. Bonds5

About 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91763615) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID91763615
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22N4O3/c1-14-18(24-10-5-9-21-20(24)22-14)19(25)23-16-13-26-11-8-17(16)27-12-15-6-3-2-4-7-15/h2-7,9-10,16-17H,8,11-13H2,1H3,(H,23,25)/t16-,17+/m1/s1
InChIKeyHNNQCUNFNCJWCK-SJORKVTESA-N
XLogP2.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 91763615) is 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HNNQCUNFNCJWCK-SJORKVTESA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-18(24-10-5-9-21-20(24)22-14)19(25)23-16-13-26-11-8-17(16)27-12-15-6-3-2-4-7-15/h2-7,9-10,16-17H,8,11-13H2,1H3,(H,23,25)/t16-,17+/m1/s1.
What are the key properties of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91763615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).