4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide

C19H28N6O2 — CID 167928915

IUPAC4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)co1
InChIInChI=1S/C19H28N6O2/c1-12-13(2)20-17(19(26)24(6)9-15-11-27-14(3)21-15)22-18(12)25-8-7-16(10-25)23(4)5/h11,16H,7-10H2,1-6H3/t16-/m1/s1
InChIKeyXLHGWPLGCHEYJE-MRXNPFEDSA-N
MW372.47 g/mol
LogP1.80
Rot. Bonds5

About 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide (PubChem CID 167928915) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide
PubChem CID167928915
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)co1
InChIInChI=1S/C19H28N6O2/c1-12-13(2)20-17(19(26)24(6)9-15-11-27-14(3)21-15)22-18(12)25-8-7-16(10-25)23(4)5/h11,16H,7-10H2,1-6H3/t16-/m1/s1
InChIKeyXLHGWPLGCHEYJE-MRXNPFEDSA-N
XLogP1.80
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide (CID 167928915) is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide is Cc1nc(CN(C)C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)co1.
What is the InChIKey of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide?
The InChIKey is XLHGWPLGCHEYJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12-13(2)20-17(19(26)24(6)9-15-11-27-14(3)21-15)22-18(12)25-8-7-16(10-25)23(4)5/h11,16H,7-10H2,1-6H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide?
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167928915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).