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

C14H22N6O — CID 50958605

IUPAC4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine
SMILESCC(C)Cc1noc(CN(C)c2cc(N(C)C)ncn2)n1
InChIInChI=1S/C14H22N6O/c1-10(2)6-11-17-14(21-18-11)8-20(5)13-7-12(19(3)4)15-9-16-13/h7,9-10H,6,8H2,1-5H3
InChIKeyNKHYWZSIRRRBDJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.76
Rot. Bonds6

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

4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 50958605) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine
PubChem CID50958605
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine
SMILESCC(C)Cc1noc(CN(C)c2cc(N(C)C)ncn2)n1
InChIInChI=1S/C14H22N6O/c1-10(2)6-11-17-14(21-18-11)8-20(5)13-7-12(19(3)4)15-9-16-13/h7,9-10H,6,8H2,1-5H3
InChIKeyNKHYWZSIRRRBDJ-UHFFFAOYSA-N
XLogP1.76
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine (CID 50958605) is 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine is CC(C)Cc1noc(CN(C)c2cc(N(C)C)ncn2)n1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is NKHYWZSIRRRBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10(2)6-11-17-14(21-18-11)8-20(5)13-7-12(19(3)4)15-9-16-13/h7,9-10H,6,8H2,1-5H3.
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 290.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 50958605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).