6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine

C8H10N6O — CID 106411776

IUPAC6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ncon2)ncn1
InChIInChI=1S/C8H10N6O/c1-9-6-2-7(12-4-11-6)10-3-8-13-5-15-14-8/h2,4-5H,3H2,1H3,(H2,9,10,11,12)
InChIKeyAFKGPKUFYVNHKQ-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.51
Rot. Bonds4

About 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 106411776) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID106411776
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ncon2)ncn1
InChIInChI=1S/C8H10N6O/c1-9-6-2-7(12-4-11-6)10-3-8-13-5-15-14-8/h2,4-5H,3H2,1H3,(H2,9,10,11,12)
InChIKeyAFKGPKUFYVNHKQ-UHFFFAOYSA-N
XLogP0.51
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520
2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332
6-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403349
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid
CID 106407329
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106402960
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine (CID 106411776) is 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2ncon2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is AFKGPKUFYVNHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-9-6-2-7(12-4-11-6)10-3-8-13-5-15-14-8/h2,4-5H,3H2,1H3,(H2,9,10,11,12).
What are the key properties of 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 206.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106411776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).