2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

C9H11N5O — CID 62784912

IUPAC2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2nc(C)no2)n1
InChIInChI=1S/C9H11N5O/c1-6-10-4-3-8(12-6)11-5-9-13-7(2)14-15-9/h3-4H,5H2,1-2H3,(H,10,11,12)
InChIKeyXFIYFPCIEDXWQH-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.09
Rot. Bonds3

About 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 62784912) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID62784912
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2nc(C)no2)n1
InChIInChI=1S/C9H11N5O/c1-6-10-4-3-8(12-6)11-5-9-13-7(2)14-15-9/h3-4H,5H2,1-2H3,(H,10,11,12)
InChIKeyXFIYFPCIEDXWQH-UHFFFAOYSA-N
XLogP1.09
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61311972
6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 63590936
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485
N-(furan-3-ylmethyl)-2-methylpyrimidin-4-amine
CID 115657207
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 54903195
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 167765215
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61373168
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 62784912) is 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1nccc(NCc2nc(C)no2)n1.
What is the InChIKey of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is XFIYFPCIEDXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-10-4-3-8(12-6)11-5-9-13-7(2)14-15-9/h3-4H,5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 205.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62784912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).