N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide

C20H25N3O3 — CID 164636601

IUPACN-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1
InChIInChI=1S/C20H25N3O3/c1-14(2)19-21-10-8-17(22-19)20(24)23-16-9-11-25-13-18(16)26-12-15-6-4-3-5-7-15/h3-8,10,14,16,18H,9,11-13H2,1-2H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyXFKHPOUWHUZHCM-WMZOPIPTSA-N
MW355.44 g/mol
LogP2.70
Rot. Bonds6

About N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide

N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 164636601) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID164636601
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1
InChIInChI=1S/C20H25N3O3/c1-14(2)19-21-10-8-17(22-19)20(24)23-16-9-11-25-13-18(16)26-12-15-6-4-3-5-7-15/h3-8,10,14,16,18H,9,11-13H2,1-2H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyXFKHPOUWHUZHCM-WMZOPIPTSA-N
XLogP2.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 164636601) is N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1.
What is the InChIKey of N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is XFKHPOUWHUZHCM-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)19-21-10-8-17(22-19)20(24)23-16-9-11-25-13-18(16)26-12-15-6-4-3-5-7-15/h3-8,10,14,16,18H,9,11-13H2,1-2H3,(H,23,24)/t16-,18-/m0/s1.
What are the key properties of N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 164636601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).