N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine

C12H17N5O2 — CID 72887749

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCOCc1noc(CNc2cc(C(C)C)ncn2)n1
InChIInChI=1S/C12H17N5O2/c1-8(2)9-4-10(15-7-14-9)13-5-12-16-11(6-18-3)17-19-12/h4,7-8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyKMLWABAZNHIWSF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.74
Rot. Bonds6

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 72887749) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID72887749
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCOCc1noc(CNc2cc(C(C)C)ncn2)n1
InChIInChI=1S/C12H17N5O2/c1-8(2)9-4-10(15-7-14-9)13-5-12-16-11(6-18-3)17-19-12/h4,7-8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyKMLWABAZNHIWSF-UHFFFAOYSA-N
XLogP1.74
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
6-ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50978397
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56895551
2-cyclopentyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56913668
5-Ethyl-3-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72136108
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 75379595
6-isopropyl-N~4~-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyrimidine-2,4-diamine
CID 72881443
N~4~-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927896
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990
5-[[4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 86817561

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine (CID 72887749) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine is COCc1noc(CNc2cc(C(C)C)ncn2)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is KMLWABAZNHIWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)9-4-10(15-7-14-9)13-5-12-16-11(6-18-3)17-19-12/h4,7-8H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).