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

C13H20N6O2 — CID 106424198

IUPAC6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2noc(C)n2)nc(COC)n1
InChIInChI=1S/C13H20N6O2/c1-4-14-11-7-12(18-13(17-11)8-20-3)15-6-5-10-16-9(2)21-19-10/h7H,4-6,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyMJBWDSKFGZLLQN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.40
Rot. Bonds8

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

6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106424198) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106424198
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2noc(C)n2)nc(COC)n1
InChIInChI=1S/C13H20N6O2/c1-4-14-11-7-12(18-13(17-11)8-20-3)15-6-5-10-16-9(2)21-19-10/h7H,4-6,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyMJBWDSKFGZLLQN-UHFFFAOYSA-N
XLogP1.40
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697
2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424174
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
6-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 114186357
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150090
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106424198) is 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is CCNc1cc(NCCc2noc(C)n2)nc(COC)n1.
What is the InChIKey of 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is MJBWDSKFGZLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-14-11-7-12(18-13(17-11)8-20-3)15-6-5-10-16-9(2)21-19-10/h7H,4-6,8H2,1-3H3,(H2,14,15,17,18).
What are the key properties of 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 292.34 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106424198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).