5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C13H17N5O2 — CID 106423124

IUPAC5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCc1ccno1
InChIInChI=1S/C13H17N5O2/c1-8(2)12-15-7-10(14-3)11(18-12)13(19)16-6-9-4-5-17-20-9/h4-5,7-8,14H,6H2,1-3H3,(H,16,19)
InChIKeyJPFMWDBTCKJQRG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds5

About 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 106423124) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID106423124
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCc1ccno1
InChIInChI=1S/C13H17N5O2/c1-8(2)12-15-7-10(14-3)11(18-12)13(19)16-6-9-4-5-17-20-9/h4-5,7-8,14H,6H2,1-3H3,(H,16,19)
InChIKeyJPFMWDBTCKJQRG-UHFFFAOYSA-N
XLogP1.56
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175297
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
N-[1-(dimethylamino)propan-2-yl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 82950338
N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167079
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65481371
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
CID 62179987
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 106423124) is 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NCc1ccno1.
What is the InChIKey of 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JPFMWDBTCKJQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)12-15-7-10(14-3)11(18-12)13(19)16-6-9-4-5-17-20-9/h4-5,7-8,14H,6H2,1-3H3,(H,16,19).
What are the key properties of 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 106423124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).