N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H26N6O2 — CID 91923175

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C18H26N6O2/c1-12-15(13(2)26-22-12)7-18(25)21-16-10-24(9-14(16)8-23(3)4)17-5-6-19-11-20-17/h5-6,11,14,16H,7-10H2,1-4H3,(H,21,25)/t14-,16-/m1/s1
InChIKeySWQPYGSRQYVMGI-GDBMZVCRSA-N
MW358.45 g/mol
LogP0.81
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 91923175) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID91923175
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C
InChIInChI=1S/C18H26N6O2/c1-12-15(13(2)26-22-12)7-18(25)21-16-10-24(9-14(16)8-23(3)4)17-5-6-19-11-20-17/h5-6,11,14,16H,7-10H2,1-4H3,(H,21,25)/t14-,16-/m1/s1
InChIKeySWQPYGSRQYVMGI-GDBMZVCRSA-N
XLogP0.81
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 91923175) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is SWQPYGSRQYVMGI-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-15(13(2)26-22-12)7-18(25)21-16-10-24(9-14(16)8-23(3)4)17-5-6-19-11-20-17/h5-6,11,14,16H,7-10H2,1-4H3,(H,21,25)/t14-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 91923175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).