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

C9H12N6O — CID 80813986

IUPAC2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCc2nc(C)no2)n1
InChIInChI=1S/C9H12N6O/c1-5-12-7(10)3-8(13-5)11-4-9-14-6(2)15-16-9/h3H,4H2,1-2H3,(H3,10,11,12,13)
InChIKeyCZUSCNKHDWXRON-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.67
Rot. Bonds3

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

2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80813986) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80813986
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCc2nc(C)no2)n1
InChIInChI=1S/C9H12N6O/c1-5-12-7(10)3-8(13-5)11-4-9-14-6(2)15-16-9/h3H,4H2,1-2H3,(H3,10,11,12,13)
InChIKeyCZUSCNKHDWXRON-UHFFFAOYSA-N
XLogP0.67
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80963831
6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
4-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,3-diamine
CID 62912507
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propylpyrimidin-4-amine
CID 61240534
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80813147
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61311972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 80813986) is 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine is Cc1nc(N)cc(NCc2nc(C)no2)n1.
What is the InChIKey of 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is CZUSCNKHDWXRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5-12-7(10)3-8(13-5)11-4-9-14-6(2)15-16-9/h3H,4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 220.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80813986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).