2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide

C13H17N5O2 — CID 91778983

IUPAC2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCc1cc(C(C)C)on1
InChIInChI=1S/C13H17N5O2/c1-7(2)11-4-9(18-20-11)5-15-12(19)10-6-16-13(14)17-8(10)3/h4,6-7H,5H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyOAWWIHWZNFBLRH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide

2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 91778983) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID91778983
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCc1cc(C(C)C)on1
InChIInChI=1S/C13H17N5O2/c1-7(2)11-4-9(18-20-11)5-15-12(19)10-6-16-13(14)17-8(10)3/h4,6-7H,5H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyOAWWIHWZNFBLRH-UHFFFAOYSA-N
XLogP1.41
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide (CID 91778983) is 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)NCc1cc(C(C)C)on1.
What is the InChIKey of 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is OAWWIHWZNFBLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7(2)11-4-9(18-20-11)5-15-12(19)10-6-16-13(14)17-8(10)3/h4,6-7H,5H2,1-3H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide?
2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91778983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).