4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C11H16N6O — CID 114185482

IUPAC4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(CNc2ncnc(N)c2C(C)C)no1
InChIInChI=1S/C11H16N6O/c1-6(2)9-10(12)14-5-15-11(9)13-4-8-16-7(3)18-17-8/h5-6H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyXYKSRCNOOLSKGB-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.49
Rot. Bonds4

About 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 114185482) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID114185482
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(CNc2ncnc(N)c2C(C)C)no1
InChIInChI=1S/C11H16N6O/c1-6(2)9-10(12)14-5-15-11(9)13-4-8-16-7(3)18-17-8/h5-6H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyXYKSRCNOOLSKGB-UHFFFAOYSA-N
XLogP1.49
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
6-N-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106424272
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 113243842
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114185580
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 114185482) is 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is Cc1nc(CNc2ncnc(N)c2C(C)C)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XYKSRCNOOLSKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6(2)9-10(12)14-5-15-11(9)13-4-8-16-7(3)18-17-8/h5-6H,4H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 114185482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).