N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide

C17H25N3O3 — CID 91786638

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C17H25N3O3/c1-2-3-14-13(8-18-11-19-14)17(21)20-15-10-22-7-6-16(15)23-9-12-4-5-12/h8,11-12,15-16H,2-7,9-10H2,1H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyMBWGVEDESSUEPS-CVEARBPZSA-N
MW319.41 g/mol
LogP1.74
Rot. Bonds7

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide (PubChem CID 91786638) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
PubChem CID91786638
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C17H25N3O3/c1-2-3-14-13(8-18-11-19-14)17(21)20-15-10-22-7-6-16(15)23-9-12-4-5-12/h8,11-12,15-16H,2-7,9-10H2,1H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyMBWGVEDESSUEPS-CVEARBPZSA-N
XLogP1.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 91789321
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91774068
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1,3-oxazole-5-carboxamide
CID 91790782
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 118786538
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91763710
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91788580
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-5-carboxamide
CID 91772333
2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
CID 91790443
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91765978
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]isoquinoline-5-carboxamide
CID 91777302
4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
CID 91796653
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide (CID 91786638) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is MBWGVEDESSUEPS-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-3-14-13(8-18-11-19-14)17(21)20-15-10-22-7-6-16(15)23-9-12-4-5-12/h8,11-12,15-16H,2-7,9-10H2,1H3,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 91786638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).