N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

C10H13N5O — CID 107911446

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2noc(C)n2)n1
InChIInChI=1S/C10H13N5O/c1-7-12-4-3-9(13-7)5-11-6-10-14-8(2)16-15-10/h3-4,11H,5-6H2,1-2H3
InChIKeyANYCQRMEJDADGP-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.77
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 107911446) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID107911446
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2noc(C)n2)n1
InChIInChI=1S/C10H13N5O/c1-7-12-4-3-9(13-7)5-11-6-10-14-8(2)16-15-10/h3-4,11H,5-6H2,1-2H3
InChIKeyANYCQRMEJDADGP-UHFFFAOYSA-N
XLogP0.77
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 107911776
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417671
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234150
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzene-1,3-diol
CID 114078696

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 107911446) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(CNCc2noc(C)n2)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is ANYCQRMEJDADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-12-4-3-9(13-7)5-11-6-10-14-8(2)16-15-10/h3-4,11H,5-6H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 107911446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).